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

C15H18N2O2 — CID 114549178

IUPAC2-methyl-3-(3-methylcyclopentyl)benzimidazole-5-carboxylic acid
SMILESCc1nc2ccc(C(=O)O)cc2n1C1CCC(C)C1
InChIInChI=1S/C15H18N2O2/c1-9-3-5-12(7-9)17-10(2)16-13-6-4-11(15(18)19)8-14(13)17/h4,6,8-9,12H,3,5,7H2,1-2H3,(H,18,19)
InChIKeySATFKXIXISYFHN-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.40
Rot. Bonds2

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

2-methyl-3-(3-methylcyclopentyl)benzimidazole-5-carboxylic acid (PubChem CID 114549178) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-methyl-3-(3-methylcyclopentyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-(3-methylcyclopentyl)benzimidazole-5-carboxylic acid
PubChem CID114549178
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-methyl-3-(3-methylcyclopentyl)benzimidazole-5-carboxylic acid
SMILESCc1nc2ccc(C(=O)O)cc2n1C1CCC(C)C1
InChIInChI=1S/C15H18N2O2/c1-9-3-5-12(7-9)17-10(2)16-13-6-4-11(15(18)19)8-14(13)17/h4,6,8-9,12H,3,5,7H2,1-2H3,(H,18,19)
InChIKeySATFKXIXISYFHN-UHFFFAOYSA-N
XLogP3.40
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(3-methylcyclopentyl)benzimidazole-5-carboxylic acid
CID 114549180
2-cyclopropyl-3-(3-methylcyclopentyl)benzimidazole-5-carboxylic acid
CID 114549169
3-(3-hydroxycyclobutyl)-2-methylbenzimidazole-5-carboxylic acid
CID 82790564
2-methyl-1-(4-methylcyclohexyl)benzimidazole-5-carboxylic acid
CID 43322927
2-methyl-3-(oxolan-3-yl)benzimidazole-5-carboxylic acid
CID 82790330
1-(3-cyclopropyl-2-methylbenzimidazol-5-yl)ethanone
CID 83886321
2-ethyl-3-(3-methylcyclohexyl)benzimidazole-5-carboxylic acid
CID 82770160
2-ethyl-3-(4-methylcyclohexyl)benzimidazole-5-carboxylic acid
CID 82769955
2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazole-5-carboxylic acid
CID 82777763
2-chloro-3-cyclopropylbenzimidazole-5-carboxylic acid
CID 83842367
2-amino-3-cyclopropylbenzimidazole-5-carboxylic acid
CID 84785186
2-methyl-3-[(2-methylcyclopropyl)methyl]benzimidazole-5-carboxylic acid
CID 113464060

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-methylcyclopentyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 2-methyl-3-(3-methylcyclopentyl)benzimidazole-5-carboxylic acid (CID 114549178) is 2-methyl-3-(3-methylcyclopentyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-methyl-3-(3-methylcyclopentyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-methyl-3-(3-methylcyclopentyl)benzimidazole-5-carboxylic acid is Cc1nc2ccc(C(=O)O)cc2n1C1CCC(C)C1.
What is the InChIKey of 2-methyl-3-(3-methylcyclopentyl)benzimidazole-5-carboxylic acid?
The InChIKey is SATFKXIXISYFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-9-3-5-12(7-9)17-10(2)16-13-6-4-11(15(18)19)8-14(13)17/h4,6,8-9,12H,3,5,7H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-3-(3-methylcyclopentyl)benzimidazole-5-carboxylic acid?
2-methyl-3-(3-methylcyclopentyl)benzimidazole-5-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methylcyclopentyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 114549178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).