2-(cyclopropylmethyl)-3-methylbenzimidazole-5-carbonitrile

C13H13N3 — CID 104712508

IUPAC2-(cyclopropylmethyl)-3-methylbenzimidazole-5-carbonitrile
SMILESCn1c(CC2CC2)nc2ccc(C#N)cc21
InChIInChI=1S/C13H13N3/c1-16-12-6-10(8-14)4-5-11(12)15-13(16)7-9-2-3-9/h4-6,9H,2-3,7H2,1H3
InChIKeyVJOKYGZRNFDXLJ-UHFFFAOYSA-N
MW211.27 g/mol
LogP2.40
Rot. Bonds2

About 2-(cyclopropylmethyl)-3-methylbenzimidazole-5-carbonitrile

2-(cyclopropylmethyl)-3-methylbenzimidazole-5-carbonitrile (PubChem CID 104712508) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-3-methylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-3-methylbenzimidazole-5-carbonitrile
PubChem CID104712508
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name2-(cyclopropylmethyl)-3-methylbenzimidazole-5-carbonitrile
SMILESCn1c(CC2CC2)nc2ccc(C#N)cc21
InChIInChI=1S/C13H13N3/c1-16-12-6-10(8-14)4-5-11(12)15-13(16)7-9-2-3-9/h4-6,9H,2-3,7H2,1H3
InChIKeyVJOKYGZRNFDXLJ-UHFFFAOYSA-N
XLogP2.40
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(cyclopropylmethyl)-3-methylbenzimidazole-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole-5-carbonitrile
CID 84629732
3-methyl-2-[(3-methylcyclohexyl)methyl]benzimidazole-5-carbonitrile
CID 143699867
2-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712269
3-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carbonitrile
CID 104712740
3-methyl-2-(methylaminomethyl)benzimidazole-5-carbonitrile
CID 84619675
2-[2-(cyclopropylamino)ethyl]-3-methylbenzimidazole-5-carbonitrile
CID 84629734
3-methyl-2-[2-(oxolan-2-yl)ethyl]benzimidazole-5-carbonitrile
CID 104712445
2-butyl-3-methylbenzimidazole-5-carbonitrile
CID 104712322
3-methyl-2-[2-(oxan-2-yl)ethyl]benzimidazole-5-carbonitrile
CID 104712752
2-(3-methoxypropyl)-3-methylbenzimidazole-5-carbonitrile
CID 113444267
[2-(cyclobutylmethyl)-3-methylbenzimidazol-5-yl]methanamine
CID 103167106
3-methyl-2-(2,2,2-trifluoroethoxymethyl)benzimidazole-5-carbonitrile
CID 103213093

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-3-methylbenzimidazole-5-carbonitrile?
The IUPAC name of 2-(cyclopropylmethyl)-3-methylbenzimidazole-5-carbonitrile (CID 104712508) is 2-(cyclopropylmethyl)-3-methylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(cyclopropylmethyl)-3-methylbenzimidazole-5-carbonitrile?
The canonical SMILES for 2-(cyclopropylmethyl)-3-methylbenzimidazole-5-carbonitrile is Cn1c(CC2CC2)nc2ccc(C#N)cc21.
What is the InChIKey of 2-(cyclopropylmethyl)-3-methylbenzimidazole-5-carbonitrile?
The InChIKey is VJOKYGZRNFDXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-16-12-6-10(8-14)4-5-11(12)15-13(16)7-9-2-3-9/h4-6,9H,2-3,7H2,1H3.
What are the key properties of 2-(cyclopropylmethyl)-3-methylbenzimidazole-5-carbonitrile?
2-(cyclopropylmethyl)-3-methylbenzimidazole-5-carbonitrile has a molecular weight of 211.27 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-3-methylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 104712508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).