1-cyclopropyl-2-(1-cyclopropylethyl)benzimidazole-5-carbonitrile

C16H17N3 — CID 83151476

IUPAC1-cyclopropyl-2-(1-cyclopropylethyl)benzimidazole-5-carbonitrile
SMILESCC(c1nc2cc(C#N)ccc2n1C1CC1)C1CC1
InChIInChI=1S/C16H17N3/c1-10(12-3-4-12)16-18-14-8-11(9-17)2-7-15(14)19(16)13-5-6-13/h2,7-8,10,12-13H,3-6H2,1H3
InChIKeyNGMLHUGNGCEQHM-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.76
Rot. Bonds3

About 1-cyclopropyl-2-(1-cyclopropylethyl)benzimidazole-5-carbonitrile

1-cyclopropyl-2-(1-cyclopropylethyl)benzimidazole-5-carbonitrile (PubChem CID 83151476) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-cyclopropyl-2-(1-cyclopropylethyl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name1-cyclopropyl-2-(1-cyclopropylethyl)benzimidazole-5-carbonitrile
PubChem CID83151476
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name1-cyclopropyl-2-(1-cyclopropylethyl)benzimidazole-5-carbonitrile
SMILESCC(c1nc2cc(C#N)ccc2n1C1CC1)C1CC1
InChIInChI=1S/C16H17N3/c1-10(12-3-4-12)16-18-14-8-11(9-17)2-7-15(14)19(16)13-5-6-13/h2,7-8,10,12-13H,3-6H2,1H3
InChIKeyNGMLHUGNGCEQHM-UHFFFAOYSA-N
XLogP3.76
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-2-(1-cyclopropylethyl)benzimidazole-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

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(1-cyclopropylethyl)benzimidazole-5-carbonitrile?
The IUPAC name of 1-cyclopropyl-2-(1-cyclopropylethyl)benzimidazole-5-carbonitrile (CID 83151476) is 1-cyclopropyl-2-(1-cyclopropylethyl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 1-cyclopropyl-2-(1-cyclopropylethyl)benzimidazole-5-carbonitrile?
The canonical SMILES for 1-cyclopropyl-2-(1-cyclopropylethyl)benzimidazole-5-carbonitrile is CC(c1nc2cc(C#N)ccc2n1C1CC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(1-cyclopropylethyl)benzimidazole-5-carbonitrile?
The InChIKey is NGMLHUGNGCEQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-10(12-3-4-12)16-18-14-8-11(9-17)2-7-15(14)19(16)13-5-6-13/h2,7-8,10,12-13H,3-6H2,1H3.
What are the key properties of 1-cyclopropyl-2-(1-cyclopropylethyl)benzimidazole-5-carbonitrile?
1-cyclopropyl-2-(1-cyclopropylethyl)benzimidazole-5-carbonitrile has a molecular weight of 251.33 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(1-cyclopropylethyl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 83151476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).