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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)-

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
  • Download
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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IN VITRO
IN-VITRO