2-ethyl-3-[(1-methylcyclopentyl)methyl]benzimidazole-5-carboxylic acid

C17H22N2O2 — CID 82774230

IUPAC2-ethyl-3-[(1-methylcyclopentyl)methyl]benzimidazole-5-carboxylic acid
SMILESCCc1nc2ccc(C(=O)O)cc2n1CC1(C)CCCC1
InChIInChI=1S/C17H22N2O2/c1-3-15-18-13-7-6-12(16(20)21)10-14(13)19(15)11-17(2)8-4-5-9-17/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,20,21)
InChIKeyGIOFEZFHLQJELM-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.88
Rot. Bonds4

About 2-ethyl-3-[(1-methylcyclopentyl)methyl]benzimidazole-5-carboxylic acid

2-ethyl-3-[(1-methylcyclopentyl)methyl]benzimidazole-5-carboxylic acid (PubChem CID 82774230) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-ethyl-3-[(1-methylcyclopentyl)methyl]benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-[(1-methylcyclopentyl)methyl]benzimidazole-5-carboxylic acid
PubChem CID82774230
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-ethyl-3-[(1-methylcyclopentyl)methyl]benzimidazole-5-carboxylic acid
SMILESCCc1nc2ccc(C(=O)O)cc2n1CC1(C)CCCC1
InChIInChI=1S/C17H22N2O2/c1-3-15-18-13-7-6-12(16(20)21)10-14(13)19(15)11-17(2)8-4-5-9-17/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,20,21)
InChIKeyGIOFEZFHLQJELM-UHFFFAOYSA-N
XLogP3.88
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[(1-methylcyclopentyl)methyl]benzimidazole-5-carboxylic acid?
The IUPAC name of 2-ethyl-3-[(1-methylcyclopentyl)methyl]benzimidazole-5-carboxylic acid (CID 82774230) is 2-ethyl-3-[(1-methylcyclopentyl)methyl]benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-[(1-methylcyclopentyl)methyl]benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-ethyl-3-[(1-methylcyclopentyl)methyl]benzimidazole-5-carboxylic acid is CCc1nc2ccc(C(=O)O)cc2n1CC1(C)CCCC1.
What is the InChIKey of 2-ethyl-3-[(1-methylcyclopentyl)methyl]benzimidazole-5-carboxylic acid?
The InChIKey is GIOFEZFHLQJELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-15-18-13-7-6-12(16(20)21)10-14(13)19(15)11-17(2)8-4-5-9-17/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,20,21).
What are the key properties of 2-ethyl-3-[(1-methylcyclopentyl)methyl]benzimidazole-5-carboxylic acid?
2-ethyl-3-[(1-methylcyclopentyl)methyl]benzimidazole-5-carboxylic acid has a molecular weight of 286.38 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[(1-methylcyclopentyl)methyl]benzimidazole-5-carboxylic acid is sourced from PubChem (CID 82774230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).