5-methylbenzimidazole-1-carbonitrile

C9H7N3 — CID 134294655

IUPAC5-methylbenzimidazole-1-carbonitrile
SMILESCc1ccc2c(c1)ncn2C#N
InChIInChI=1S/C9H7N3/c1-7-2-3-9-8(4-7)11-6-12(9)5-10/h2-4,6H,1H3
InChIKeyGVLNSGPUOFTLIO-UHFFFAOYSA-N
MW157.18 g/mol
LogP1.67
Rot. Bonds

About 5-methylbenzimidazole-1-carbonitrile

5-methylbenzimidazole-1-carbonitrile (PubChem CID 134294655) has the molecular formula C9H7N3 and a molecular weight of 157.18 g/mol. Its IUPAC name is 5-methylbenzimidazole-1-carbonitrile.

Molecular Properties

Compound Name5-methylbenzimidazole-1-carbonitrile
PubChem CID134294655
Molecular FormulaC9H7N3
Molecular Weight157.18 g/mol
Exact Mass157.06
IUPAC Name5-methylbenzimidazole-1-carbonitrile
SMILESCc1ccc2c(c1)ncn2C#N
InChIInChI=1S/C9H7N3/c1-7-2-3-9-8(4-7)11-6-12(9)5-10/h2-4,6H,1H3
InChIKeyGVLNSGPUOFTLIO-UHFFFAOYSA-N
XLogP1.67
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.18
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethynyl-5-methylbenzimidazole
CID 119085875
3-(5-methylbenzimidazol-1-yl)propanenitrile
CID 45078513
1-bromo-5-methylbenzimidazole
CID 119086156
1,5-dimethylbenzimidazole;ethene
CID 145318091
1-(difluoromethyl)-5-methylbenzimidazole;ethane
CID 162381438
1-benzyl-5-methylbenzimidazole
CID 12620837
1-[(4-chlorophenyl)methyl]-5-methylbenzimidazole
CID 59172203
1,3-diethylbenzene;1,5-dimethylbenzimidazole
CID 143832422
1-ethynyl-N,N-dimethylbenzimidazol-5-amine
CID 90306015
(6-methylbenzimidazol-1-yl)thallium
CID 142243531
3,7-dimethyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 4110105
1-(cyclohexa-2,4-dien-1-ylmethyl)-5-methylbenzimidazole
CID 163950889

Frequently Asked Questions

What is the IUPAC name of 5-methylbenzimidazole-1-carbonitrile?
The IUPAC name of 5-methylbenzimidazole-1-carbonitrile (CID 134294655) is 5-methylbenzimidazole-1-carbonitrile.
What is the SMILES notation for 5-methylbenzimidazole-1-carbonitrile?
The canonical SMILES for 5-methylbenzimidazole-1-carbonitrile is Cc1ccc2c(c1)ncn2C#N.
What is the InChIKey of 5-methylbenzimidazole-1-carbonitrile?
The InChIKey is GVLNSGPUOFTLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3/c1-7-2-3-9-8(4-7)11-6-12(9)5-10/h2-4,6H,1H3.
What are the key properties of 5-methylbenzimidazole-1-carbonitrile?
5-methylbenzimidazole-1-carbonitrile has a molecular weight of 157.18 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylbenzimidazole-1-carbonitrile is sourced from PubChem (CID 134294655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).