3-(3-cyclopentylpropyl)-2-methylbenzimidazole-5-carboxylic acid

C17H22N2O2 — CID 106003502

IUPAC3-(3-cyclopentylpropyl)-2-methylbenzimidazole-5-carboxylic acid
SMILESCc1nc2ccc(C(=O)O)cc2n1CCCC1CCCC1
InChIInChI=1S/C17H22N2O2/c1-12-18-15-9-8-14(17(20)21)11-16(15)19(12)10-4-7-13-5-2-3-6-13/h8-9,11,13H,2-7,10H2,1H3,(H,20,21)
InChIKeyDMBUMEWNKVLRKE-UHFFFAOYSA-N
MW286.38 g/mol
LogP4.01
Rot. Bonds5

About 3-(3-cyclopentylpropyl)-2-methylbenzimidazole-5-carboxylic acid

3-(3-cyclopentylpropyl)-2-methylbenzimidazole-5-carboxylic acid (PubChem CID 106003502) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-(3-cyclopentylpropyl)-2-methylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-cyclopentylpropyl)-2-methylbenzimidazole-5-carboxylic acid
PubChem CID106003502
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-(3-cyclopentylpropyl)-2-methylbenzimidazole-5-carboxylic acid
SMILESCc1nc2ccc(C(=O)O)cc2n1CCCC1CCCC1
InChIInChI=1S/C17H22N2O2/c1-12-18-15-9-8-14(17(20)21)11-16(15)19(12)10-4-7-13-5-2-3-6-13/h8-9,11,13H,2-7,10H2,1H3,(H,20,21)
InChIKeyDMBUMEWNKVLRKE-UHFFFAOYSA-N
XLogP4.01
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentylpropyl)-2-methylbenzimidazole-5-carboxylic acid?
The IUPAC name of 3-(3-cyclopentylpropyl)-2-methylbenzimidazole-5-carboxylic acid (CID 106003502) is 3-(3-cyclopentylpropyl)-2-methylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 3-(3-cyclopentylpropyl)-2-methylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 3-(3-cyclopentylpropyl)-2-methylbenzimidazole-5-carboxylic acid is Cc1nc2ccc(C(=O)O)cc2n1CCCC1CCCC1.
What is the InChIKey of 3-(3-cyclopentylpropyl)-2-methylbenzimidazole-5-carboxylic acid?
The InChIKey is DMBUMEWNKVLRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-18-15-9-8-14(17(20)21)11-16(15)19(12)10-4-7-13-5-2-3-6-13/h8-9,11,13H,2-7,10H2,1H3,(H,20,21).
What are the key properties of 3-(3-cyclopentylpropyl)-2-methylbenzimidazole-5-carboxylic acid?
3-(3-cyclopentylpropyl)-2-methylbenzimidazole-5-carboxylic acid has a molecular weight of 286.38 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentylpropyl)-2-methylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 106003502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).