5,6-DIMETHYLBENZIMIDAZOLE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H10N2
Molecular Weight	146.1891
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC2=C(C=C1C)N=CN2

InChI

InChIKey=LJUQGASMPRMWIW-UHFFFAOYSA-N

InChI=1S/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11)

HIDE SMILES / InChI

Molecular Formula	C9H10N2
Molecular Weight	146.1891
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
Assessment of the existence of hyper-long axial Co(II)-N bonds in cobinamide B(12) models by using electron paramagnetic resonance spectroscopy.	2001 Apr 11	11457072
Thermodynamic and kinetic studies on the reaction between the vitamin B12 derivative beta-(N-methylimidazolyl)cobalamin and N-methylimidazole: ligand displacement at the alpha axial site of cobalamins.	2001 Mar 26	11261947
Enzymatic activity of coenzyme B(12) derivatives with altered axial nucleotides: probing the mechanochemical triggering hypothesis in ribonucleotide reductase.	2001 Nov 5	11681909
Structural investigation of the biosynthesis of alternative lower ligands for cobamides by nicotinate mononucleotide: 5,6-dimethylbenzimidazole phosphoribosyltransferase from Salmonella enterica.	2001 Oct 5	11441022
Alpha-5,6-dimethylbenzimidazole adenine dinucleotide (alpha-DAD), a putative new intermediate of coenzyme B12 biosynthesis in Salmonella typhimurium.	2003 Apr	12686640
Formation of the dimethylbenzimidazole ligand of coenzyme B(12) under physiological conditions by a facile oxidative cascade.	2003 Jun 26	12816411
Spectroscopic and computational studies on the adenosylcobalamin-dependent methylmalonyl-CoA mutase: evaluation of enzymatic contributions to Co-C bond activation in the Co3+ ground state.	2004 Jul 7	15225058
Biochemistry: molecular cannibalism.	2007 Mar 22	17377573
Analysis of vibrational spectra of 5,6-dimethyl benzimidazole based on density functional theory calculations.	2007 Nov	17475545
Medical implications of benzimidazole derivatives as drugs designed for targeting DNA and DNA associated processes.	2008	18691037
Identification of metabolites with anticancer properties by computational metabolomics.	2008 Jun 17	18559081
Metabolism of halophilic archaea.	2008 Mar	18278431
Ag4L2 nanocage as a building unit toward the construction of silver metal strings.	2008 Nov 17	18847253
(N-n-Butyl-pyridine-4-carbothio-amide-κN)chloridobis(dimethyl-glyoximato-κN,N')cobalt(III) hemihydrate.	2009 Jun 20	21582722
Stabilization of the base-off forms of vitamin B(12) and coenzyme B(12) by encapsulation of the alpha-axial 5,6-dimethylbenzimidazole ligand with cucurbit[7]uril.	2009 May 14	19381421
Structure-based mechanism of ADP-ribosylation by sirtuins.	2009 Nov 27	19801667
Apparent ruminal synthesis and intestinal disappearance of vitamin B12 and its analogs in dairy cows.	2009 Sep	19700714
Sirtuin chemical mechanisms.	2010 Aug	20132909
Purification and some properties of wild-type and N-terminal-truncated ethanolamine ammonia-lyase of Escherichia coli.	2010 Jan	19762342
Redetermination of the X-ray structure of nitroxylcobalamin: base-on nitroxylcobalamin exhibits a remarkably long Co-N(dimethylbenzimidazole) bond distance.	2010 Nov 28	20890534
Genetic disorders of vitamin B₁₂ metabolism: eight complementation groups--eight genes.	2010 Nov 29	21114891

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:04:59 GMT 2023` Edited by `admin` on `Fri Dec 15 19:04:59 GMT 2023`
Record UNII	553XI1DS20
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5,6-DIMETHYLBENZIMIDAZOLE

Systematic Name

English

5,6-DIMETHYL-1H-BENZIMIDAZOLE

Systematic Name

English

BENZIMIDAZOLE, 5,6-DIMETHYL-

Systematic Name

English

1H-BENZIMIDAZOLE, 5,6-DIMETHYL-

Systematic Name

English

5,6-DIMETHYLBENZIMIDAZOLE [MI]

Common Name

English

NSC-68316

Code

English

Code System Code Type Description

CAS

582-60-5