BI-187004, (3-METHYLBENZIMIDAZOLE)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H20N4O
Molecular Weight	356.4204
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BI-187004, (3-METHYLBENZIMIDAZOLE)-

Structure Search

SMILES

[H][C@]12CC3=C(C=C(C=C3)C#N)[C@@]1([H])CCCN2C(=O)C4=CC5=C(C=C4)N=CN5C

InChI

InChIKey=YJXQDWQEBSDQFD-XLIONFOSSA-N

InChI=1S/C22H20N4O/c1-25-13-24-19-7-6-16(11-21(19)25)22(27)26-8-2-3-17-18-9-14(12-23)4-5-15(18)10-20(17)26/h4-7,9,11,13,17,20H,2-3,8,10H2,1H3/t17-,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H20N4O
Molecular Weight	356.4204
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:19:19 GMT 2023` Edited by `admin` on `Sat Dec 16 15:19:19 GMT 2023`
Record UNII	9FPF7S5GMY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BI-187004, (3-METHYLBENZIMIDAZOLE)-

Common Name

English

BI-187004 METABOLITE M14

Common Name

English

(4AR,9AS)-1-(3-METHYLBENZIMIDAZOLE-5-CARBONYL)-2,3,4,4A,9,9A-HEXAHYDROINDENO(2,1-B)PYRIDINE-6-CARBONITRILE

Systematic Name

English

Code System Code Type Description

FDA UNII

9FPF7S5GMY

Created by admin on Sat Dec 16 15:19:19 GMT 2023 , Edited by admin on Sat Dec 16 15:19:19 GMT 2023

PRIMARY

PUBCHEM

155804786

Created by admin on Sat Dec 16 15:19:19 GMT 2023 , Edited by admin on Sat Dec 16 15:19:19 GMT 2023

PRIMARY

PUBCHEM

Related Record Type Details


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BI-187004

PARENT -> METABOLITE

Comments:

IN VITRO

Interaction Type:

IN-VITRO