2-(2,2-dimethylcyclopropyl)-1-propylbenzimidazole-5-carbonitrile

C16H19N3 — CID 107003447

IUPAC2-(2,2-dimethylcyclopropyl)-1-propylbenzimidazole-5-carbonitrile
SMILESCCCn1c(C2CC2(C)C)nc2cc(C#N)ccc21
InChIInChI=1S/C16H19N3/c1-4-7-19-14-6-5-11(10-17)8-13(14)18-15(19)12-9-16(12,2)3/h5-6,8,12H,4,7,9H2,1-3H3
InChIKeyMGQUWWPIWUIVQO-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.83
Rot. Bonds3

About 2-(2,2-dimethylcyclopropyl)-1-propylbenzimidazole-5-carbonitrile

2-(2,2-dimethylcyclopropyl)-1-propylbenzimidazole-5-carbonitrile (PubChem CID 107003447) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(2,2-dimethylcyclopropyl)-1-propylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(2,2-dimethylcyclopropyl)-1-propylbenzimidazole-5-carbonitrile
PubChem CID107003447
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name2-(2,2-dimethylcyclopropyl)-1-propylbenzimidazole-5-carbonitrile
SMILESCCCn1c(C2CC2(C)C)nc2cc(C#N)ccc21
InChIInChI=1S/C16H19N3/c1-4-7-19-14-6-5-11(10-17)8-13(14)18-15(19)12-9-16(12,2)3/h5-6,8,12H,4,7,9H2,1-3H3
InChIKeyMGQUWWPIWUIVQO-UHFFFAOYSA-N
XLogP3.83
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,2-dimethylcyclopropyl)-1-propylbenzimidazole-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

2-(2,2-dimethylcyclopropyl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile
CID 107003451
2-cycloheptyl-1-propylbenzimidazole-5-carbonitrile
CID 65040307
1-ethyl-2-(2,2,3,3-tetramethylcyclopropyl)benzimidazole-5-carbonitrile
CID 66478269
2-(ethoxymethyl)-1-propylbenzimidazole-5-carbonitrile
CID 65040254
2-(4-methylphenyl)-1-propylbenzimidazole-5-carbonitrile
CID 65040444
2-(propoxymethyl)-1-propylbenzimidazole-5-carbonitrile
CID 107941810
2-[(1S)-1-hydroxyethyl]-1-propylbenzimidazole-5-carbonitrile
CID 66263869
2-cycloheptyl-1-ethylbenzimidazole-5-carbonitrile
CID 65040296
2-(5-methylthiophen-2-yl)-1-propylbenzimidazole-5-carbonitrile
CID 65040636
1-methyl-2-(2-methylcyclopropyl)benzimidazole-5-carbonitrile
CID 65034874
2-(2-methyl-4-pyridinyl)-1-propylbenzimidazole-5-carbonitrile
CID 106754381
2-(2-fluorophenyl)-1-propylbenzimidazole-5-carbonitrile
CID 65040443

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylcyclopropyl)-1-propylbenzimidazole-5-carbonitrile?
The IUPAC name of 2-(2,2-dimethylcyclopropyl)-1-propylbenzimidazole-5-carbonitrile (CID 107003447) is 2-(2,2-dimethylcyclopropyl)-1-propylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(2,2-dimethylcyclopropyl)-1-propylbenzimidazole-5-carbonitrile?
The canonical SMILES for 2-(2,2-dimethylcyclopropyl)-1-propylbenzimidazole-5-carbonitrile is CCCn1c(C2CC2(C)C)nc2cc(C#N)ccc21.
What is the InChIKey of 2-(2,2-dimethylcyclopropyl)-1-propylbenzimidazole-5-carbonitrile?
The InChIKey is MGQUWWPIWUIVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-4-7-19-14-6-5-11(10-17)8-13(14)18-15(19)12-9-16(12,2)3/h5-6,8,12H,4,7,9H2,1-3H3.
What are the key properties of 2-(2,2-dimethylcyclopropyl)-1-propylbenzimidazole-5-carbonitrile?
2-(2,2-dimethylcyclopropyl)-1-propylbenzimidazole-5-carbonitrile has a molecular weight of 253.35 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylcyclopropyl)-1-propylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 107003447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).