2-ethyl-1-(1-methylcyclopentyl)benzimidazole-5-carboxylic acid

C16H20N2O2 — CID 64688633

IUPAC2-ethyl-1-(1-methylcyclopentyl)benzimidazole-5-carboxylic acid
SMILESCCc1nc2cc(C(=O)O)ccc2n1C1(C)CCCC1
InChIInChI=1S/C16H20N2O2/c1-3-14-17-12-10-11(15(19)20)6-7-13(12)18(14)16(2)8-4-5-9-16/h6-7,10H,3-5,8-9H2,1-2H3,(H,19,20)
InChIKeyDEKPHMVLURJFBM-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.59
Rot. Bonds3

About 2-ethyl-1-(1-methylcyclopentyl)benzimidazole-5-carboxylic acid

2-ethyl-1-(1-methylcyclopentyl)benzimidazole-5-carboxylic acid (PubChem CID 64688633) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-ethyl-1-(1-methylcyclopentyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-(1-methylcyclopentyl)benzimidazole-5-carboxylic acid
PubChem CID64688633
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-ethyl-1-(1-methylcyclopentyl)benzimidazole-5-carboxylic acid
SMILESCCc1nc2cc(C(=O)O)ccc2n1C1(C)CCCC1
InChIInChI=1S/C16H20N2O2/c1-3-14-17-12-10-11(15(19)20)6-7-13(12)18(14)16(2)8-4-5-9-16/h6-7,10H,3-5,8-9H2,1-2H3,(H,19,20)
InChIKeyDEKPHMVLURJFBM-UHFFFAOYSA-N
XLogP3.59
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole-5-carboxylic acid
CID 106217017
2-ethyl-1-[(1-methylcyclopropyl)methyl]benzimidazole-5-carboxylic acid
CID 114101513
2-ethyl-1-[(2-methylthiolan-2-yl)methyl]benzimidazole-5-carboxylic acid
CID 80723956
2-ethyl-3-[(1-methylcyclopentyl)methyl]benzimidazole-5-carboxylic acid
CID 82774230
2-methyl-1-[(1-methylcyclopentyl)methyl]benzimidazole-5-carboxylic acid
CID 63830134
1-(4-chlorophenyl)-2-ethylbenzimidazole-5-carboxylic acid
CID 43140431
2-ethyl-1-hexan-3-ylbenzimidazole-5-carboxylic acid
CID 62117854
1-(1-methylcyclopentyl)-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 64689401
2-ethyl-1-(2-fluorophenyl)benzimidazole-5-carboxylic acid
CID 43140417
2-ethyl-1-(3-propoxypropyl)benzimidazole-5-carboxylic acid
CID 82940831
2-ethyl-1-(1-methylpyrrolidin-3-yl)benzimidazole-5-carboxylic acid
CID 61465273
2-ethyl-3-methylbenzimidazole-5-carboxylic acid
CID 53409133

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(1-methylcyclopentyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 2-ethyl-1-(1-methylcyclopentyl)benzimidazole-5-carboxylic acid (CID 64688633) is 2-ethyl-1-(1-methylcyclopentyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-(1-methylcyclopentyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-ethyl-1-(1-methylcyclopentyl)benzimidazole-5-carboxylic acid is CCc1nc2cc(C(=O)O)ccc2n1C1(C)CCCC1.
What is the InChIKey of 2-ethyl-1-(1-methylcyclopentyl)benzimidazole-5-carboxylic acid?
The InChIKey is DEKPHMVLURJFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-14-17-12-10-11(15(19)20)6-7-13(12)18(14)16(2)8-4-5-9-16/h6-7,10H,3-5,8-9H2,1-2H3,(H,19,20).
What are the key properties of 2-ethyl-1-(1-methylcyclopentyl)benzimidazole-5-carboxylic acid?
2-ethyl-1-(1-methylcyclopentyl)benzimidazole-5-carboxylic acid has a molecular weight of 272.35 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(1-methylcyclopentyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 64688633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).