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

C17H20N2O2 — CID 114549169

IUPAC2-cyclopropyl-3-(3-methylcyclopentyl)benzimidazole-5-carboxylic acid
SMILESCC1CCC(n2c(C3CC3)nc3ccc(C(=O)O)cc32)C1
InChIInChI=1S/C17H20N2O2/c1-10-2-6-13(8-10)19-15-9-12(17(20)21)5-7-14(15)18-16(19)11-3-4-11/h5,7,9-11,13H,2-4,6,8H2,1H3,(H,20,21)
InChIKeyJZMAEQBDUQZHAJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.97
Rot. Bonds3

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

2-cyclopropyl-3-(3-methylcyclopentyl)benzimidazole-5-carboxylic acid (PubChem CID 114549169) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-cyclopropyl-3-(3-methylcyclopentyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(3-methylcyclopentyl)benzimidazole-5-carboxylic acid
PubChem CID114549169
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-cyclopropyl-3-(3-methylcyclopentyl)benzimidazole-5-carboxylic acid
SMILESCC1CCC(n2c(C3CC3)nc3ccc(C(=O)O)cc32)C1
InChIInChI=1S/C17H20N2O2/c1-10-2-6-13(8-10)19-15-9-12(17(20)21)5-7-14(15)18-16(19)11-3-4-11/h5,7,9-11,13H,2-4,6,8H2,1H3,(H,20,21)
InChIKeyJZMAEQBDUQZHAJ-UHFFFAOYSA-N
XLogP3.97
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(3-methylcyclopentyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-(3-methylcyclopentyl)benzimidazole-5-carboxylic acid (CID 114549169) is 2-cyclopropyl-3-(3-methylcyclopentyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-(3-methylcyclopentyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-(3-methylcyclopentyl)benzimidazole-5-carboxylic acid is CC1CCC(n2c(C3CC3)nc3ccc(C(=O)O)cc32)C1.
What is the InChIKey of 2-cyclopropyl-3-(3-methylcyclopentyl)benzimidazole-5-carboxylic acid?
The InChIKey is JZMAEQBDUQZHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-10-2-6-13(8-10)19-15-9-12(17(20)21)5-7-14(15)18-16(19)11-3-4-11/h5,7,9-11,13H,2-4,6,8H2,1H3,(H,20,21).
What are the key properties of 2-cyclopropyl-3-(3-methylcyclopentyl)benzimidazole-5-carboxylic acid?
2-cyclopropyl-3-(3-methylcyclopentyl)benzimidazole-5-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(3-methylcyclopentyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 114549169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).