2-cyclopropyl-3-(2-cyclopropylethyl)benzimidazole-5-carboxylic acid

C16H18N2O2 — CID 82773778

IUPAC2-cyclopropyl-3-(2-cyclopropylethyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(C3CC3)n(CCC3CC3)c2c1
InChIInChI=1S/C16H18N2O2/c19-16(20)12-5-6-13-14(9-12)18(8-7-10-1-2-10)15(17-13)11-3-4-11/h5-6,9-11H,1-4,7-8H2,(H,19,20)
InChIKeyVNHUVXTWBZPYNV-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.41
Rot. Bonds5

About 2-cyclopropyl-3-(2-cyclopropylethyl)benzimidazole-5-carboxylic acid

2-cyclopropyl-3-(2-cyclopropylethyl)benzimidazole-5-carboxylic acid (PubChem CID 82773778) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2-cyclopropylethyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(2-cyclopropylethyl)benzimidazole-5-carboxylic acid
PubChem CID82773778
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-cyclopropyl-3-(2-cyclopropylethyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(C3CC3)n(CCC3CC3)c2c1
InChIInChI=1S/C16H18N2O2/c19-16(20)12-5-6-13-14(9-12)18(8-7-10-1-2-10)15(17-13)11-3-4-11/h5-6,9-11H,1-4,7-8H2,(H,19,20)
InChIKeyVNHUVXTWBZPYNV-UHFFFAOYSA-N
XLogP3.41
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-3-(2-cyclopropylethyl)benzimidazole-5-carboxylic acid 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-cyclopropyl-3-(2-methylsulfanylethyl)benzimidazole-5-carboxylic acid
CID 82790482
2-cyclopropyl-3-(3-hydroxybutyl)benzimidazole-5-carboxylic acid
CID 82790323
2-cyclopropyl-3-[2-(dimethylamino)propyl]benzimidazole-5-carboxylic acid
CID 82773918
2-cyclopropyl-3-[(2-fluorophenyl)methyl]benzimidazole-5-carboxylic acid
CID 18681002
3-(cyclopropylmethyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 82791209
3-[(2-cyclopropylbenzimidazol-1-yl)methyl]benzoic acid
CID 82144581
2-cyclobutyl-1-propylbenzimidazole-5-carboxylic acid
CID 82483518
3-(3-cyclopentylpropyl)-2-methylbenzimidazole-5-carboxylic acid
CID 106003502
2-cyclopropyl-1-(3-ethoxypropyl)benzimidazole-5-carboxylic acid
CID 43140489
2-cyclopropyl-3-(3-methylcyclopentyl)benzimidazole-5-carboxylic acid
CID 114549169
2-cyclopropyl-1-(2,2-dimethylbutyl)benzimidazole-5-carboxylic acid
CID 103463466
3-(2-cyclopropylbenzimidazol-1-yl)propanoic acid
CID 28752852

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2-cyclopropylethyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-(2-cyclopropylethyl)benzimidazole-5-carboxylic acid (CID 82773778) is 2-cyclopropyl-3-(2-cyclopropylethyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-(2-cyclopropylethyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-(2-cyclopropylethyl)benzimidazole-5-carboxylic acid is O=C(O)c1ccc2nc(C3CC3)n(CCC3CC3)c2c1.
What is the InChIKey of 2-cyclopropyl-3-(2-cyclopropylethyl)benzimidazole-5-carboxylic acid?
The InChIKey is VNHUVXTWBZPYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-16(20)12-5-6-13-14(9-12)18(8-7-10-1-2-10)15(17-13)11-3-4-11/h5-6,9-11H,1-4,7-8H2,(H,19,20).
What are the key properties of 2-cyclopropyl-3-(2-cyclopropylethyl)benzimidazole-5-carboxylic acid?
2-cyclopropyl-3-(2-cyclopropylethyl)benzimidazole-5-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2-cyclopropylethyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 82773778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).