1H-benzimidazole-2-carbonitrile

C8H5N3 — CID 843858

IUPAC1H-benzimidazole-2-carbonitrile
SMILESN#Cc1nc2ccccc2[nH]1
InChIInChI=1S/C8H5N3/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,(H,10,11)
InChIKeyVEKMJKMSTPFHQD-UHFFFAOYSA-N
MW143.15 g/mol
LogP1.43
Rot. Bonds

About 1H-benzimidazole-2-carbonitrile

1H-benzimidazole-2-carbonitrile (PubChem CID 843858) has the molecular formula C8H5N3 and a molecular weight of 143.15 g/mol. Its IUPAC name is 1H-benzimidazole-2-carbonitrile.

Molecular Properties

Compound Name1H-benzimidazole-2-carbonitrile
PubChem CID843858
Molecular FormulaC8H5N3
Molecular Weight143.15 g/mol
Exact Mass143.05
IUPAC Name1H-benzimidazole-2-carbonitrile
SMILESN#Cc1nc2ccccc2[nH]1
InChIInChI=1S/C8H5N3/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,(H,10,11)
InChIKeyVEKMJKMSTPFHQD-UHFFFAOYSA-N
XLogP1.43
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 161271779
CID 161271779
1H-benzo[f]benzimidazole-2-carbonitrile
CID 45078096
2-(1H-benzimidazol-2-yl)acetonitrile
CID 53446454
4-fluoro-1H-benzimidazole-2-carbonitrile
CID 83433358
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-(1H-benzimidazol-2-ylsulfanyl)propanedinitrile
CID 2814568
2-methyl-1H-benzimidazole
CID 11984
azane;2-phenyl-1H-benzimidazole
CID 172858780
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464
2-phenyl-1H-benzimidazole;zinc
CID 174639851
4-methylsulfanyl-1H-benzimidazole-2-carbonitrile
CID 130850915
4-(1H-benzimidazol-2-yl)butanenitrile
CID 12683083

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole-2-carbonitrile?
The IUPAC name of 1H-benzimidazole-2-carbonitrile (CID 843858) is 1H-benzimidazole-2-carbonitrile.
What is the SMILES notation for 1H-benzimidazole-2-carbonitrile?
The canonical SMILES for 1H-benzimidazole-2-carbonitrile is N#Cc1nc2ccccc2[nH]1.
What is the InChIKey of 1H-benzimidazole-2-carbonitrile?
The InChIKey is VEKMJKMSTPFHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,(H,10,11).
What are the key properties of 1H-benzimidazole-2-carbonitrile?
1H-benzimidazole-2-carbonitrile has a molecular weight of 143.15 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole-2-carbonitrile is sourced from PubChem (CID 843858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).