U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C13H15IN2O2
Molecular Weight 358.1749
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of tert-Butyl 2-(iodomethyl)benzimidazole-1-carboxylate

SMILES

CC(C)(C)OC(=O)N1C(CI)=NC2=CC=CC=C12

InChI

InChIKey=NOMWBZZQJMSOSC-UHFFFAOYSA-N
InChI=1S/C13H15IN2O2/c1-13(2,3)18-12(17)16-10-7-5-4-6-9(10)15-11(16)8-14/h4-7H,8H2,1-3H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
tert-Butyl 2-(iodomethyl)benzimidazole-1-carboxylate
Systematic Name English
1H-Benzimidazole-1-carboxylic acid, 2-(iodomethyl)-, 1,1-dimethylethyl ester
Systematic Name English
1,1-Dimethylethyl 2-(iodomethyl)-1H-benzimidazole-1-carboxylate
Systematic Name English
Code System Code Type Description
CAS
1058225-52-7
Created by admin on Sat Dec 16 20:09:18 GMT 2023 , Edited by admin on Sat Dec 16 20:09:18 GMT 2023
PRIMARY
PUBCHEM
84819983
Created by admin on Sat Dec 16 20:09:18 GMT 2023 , Edited by admin on Sat Dec 16 20:09:18 GMT 2023
PRIMARY
FDA UNII
GK776EQ5YR
Created by admin on Sat Dec 16 20:09:18 GMT 2023 , Edited by admin on Sat Dec 16 20:09:18 GMT 2023
PRIMARY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966