2-methyl-1-[(2-methylcyclopentyl)methyl]benzimidazole-4-carboxylic acid

C16H20N2O2 — CID 107420058

IUPAC2-methyl-1-[(2-methylcyclopentyl)methyl]benzimidazole-4-carboxylic acid
SMILESCc1nc2c(C(=O)O)cccc2n1CC1CCCC1C
InChIInChI=1S/C16H20N2O2/c1-10-5-3-6-12(10)9-18-11(2)17-15-13(16(19)20)7-4-8-14(15)18/h4,7-8,10,12H,3,5-6,9H2,1-2H3,(H,19,20)
InChIKeyYPHLDPIRXFTDBU-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.48
Rot. Bonds3

About 2-methyl-1-[(2-methylcyclopentyl)methyl]benzimidazole-4-carboxylic acid

2-methyl-1-[(2-methylcyclopentyl)methyl]benzimidazole-4-carboxylic acid (PubChem CID 107420058) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-methyl-1-[(2-methylcyclopentyl)methyl]benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[(2-methylcyclopentyl)methyl]benzimidazole-4-carboxylic acid
PubChem CID107420058
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-methyl-1-[(2-methylcyclopentyl)methyl]benzimidazole-4-carboxylic acid
SMILESCc1nc2c(C(=O)O)cccc2n1CC1CCCC1C
InChIInChI=1S/C16H20N2O2/c1-10-5-3-6-12(10)9-18-11(2)17-15-13(16(19)20)7-4-8-14(15)18/h4,7-8,10,12H,3,5-6,9H2,1-2H3,(H,19,20)
InChIKeyYPHLDPIRXFTDBU-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazole-4-carboxylic acid
CID 115543164
1-[(1,1-dioxothiolan-2-yl)methyl]-2-methylbenzimidazole-4-carboxylic acid
CID 115543950
1-(2-cyclopropylethyl)-2-methylbenzimidazole-4-carboxylic acid
CID 113332313
2-methyl-3-[(2-methylcyclohexyl)methyl]benzimidazole-5-carboxylic acid
CID 82774358
1-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylbenzimidazole-4-carboxylic acid
CID 115543162
2-methyl-1-[2-(oxolan-2-yl)ethyl]benzimidazole-4-carboxylic acid
CID 115543363
2-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazole-4-carboxylic acid
CID 114101514
1-(4-methoxybutyl)-2-methylbenzimidazole-4-carboxylic acid
CID 115543377
1-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylbenzimidazole-4-carboxylic acid
CID 105419786
2-tert-butyl-1-(cyclobutylmethyl)benzimidazole-4-carboxylic acid
CID 115543040
1-(2-methoxyethyl)-2-methylbenzimidazole-4-carboxylic acid
CID 115543015
1-[2-(dimethylamino)ethyl]-2-methylbenzimidazole-4-carboxylic acid
CID 115542757

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2-methylcyclopentyl)methyl]benzimidazole-4-carboxylic acid?
The IUPAC name of 2-methyl-1-[(2-methylcyclopentyl)methyl]benzimidazole-4-carboxylic acid (CID 107420058) is 2-methyl-1-[(2-methylcyclopentyl)methyl]benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[(2-methylcyclopentyl)methyl]benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-[(2-methylcyclopentyl)methyl]benzimidazole-4-carboxylic acid is Cc1nc2c(C(=O)O)cccc2n1CC1CCCC1C.
What is the InChIKey of 2-methyl-1-[(2-methylcyclopentyl)methyl]benzimidazole-4-carboxylic acid?
The InChIKey is YPHLDPIRXFTDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10-5-3-6-12(10)9-18-11(2)17-15-13(16(19)20)7-4-8-14(15)18/h4,7-8,10,12H,3,5-6,9H2,1-2H3,(H,19,20).
What are the key properties of 2-methyl-1-[(2-methylcyclopentyl)methyl]benzimidazole-4-carboxylic acid?
2-methyl-1-[(2-methylcyclopentyl)methyl]benzimidazole-4-carboxylic acid has a molecular weight of 272.35 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2-methylcyclopentyl)methyl]benzimidazole-4-carboxylic acid is sourced from PubChem (CID 107420058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).