2-methyl-3-(4-methylpentyl)benzimidazole-4-carboxylic acid

C15H20N2O2 — CID 112577289

IUPAC2-methyl-3-(4-methylpentyl)benzimidazole-4-carboxylic acid
SMILESCc1nc2cccc(C(=O)O)c2n1CCCC(C)C
InChIInChI=1S/C15H20N2O2/c1-10(2)6-5-9-17-11(3)16-13-8-4-7-12(14(13)17)15(18)19/h4,7-8,10H,5-6,9H2,1-3H3,(H,18,19)
InChIKeyYCCQACAHUFEYBI-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.48
Rot. Bonds5

About 2-methyl-3-(4-methylpentyl)benzimidazole-4-carboxylic acid

2-methyl-3-(4-methylpentyl)benzimidazole-4-carboxylic acid (PubChem CID 112577289) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-methyl-3-(4-methylpentyl)benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-(4-methylpentyl)benzimidazole-4-carboxylic acid
PubChem CID112577289
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-methyl-3-(4-methylpentyl)benzimidazole-4-carboxylic acid
SMILESCc1nc2cccc(C(=O)O)c2n1CCCC(C)C
InChIInChI=1S/C15H20N2O2/c1-10(2)6-5-9-17-11(3)16-13-8-4-7-12(14(13)17)15(18)19/h4,7-8,10H,5-6,9H2,1-3H3,(H,18,19)
InChIKeyYCCQACAHUFEYBI-UHFFFAOYSA-N
XLogP3.48
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dimethylbutyl)-2-methylbenzimidazole-4-carboxylic acid
CID 112577342
2-methyl-3-(2-methylsulfanylethyl)benzimidazole-4-carboxylic acid
CID 112577314
3-(2-cyclopropylethyl)-2-methylbenzimidazole-4-carboxylic acid
CID 112577362
2-methyl-1-(5-methylhexyl)benzimidazole-4-carboxylic acid
CID 115543972
2-methyl-3-[2-(methylamino)-2-oxoethyl]benzimidazole-4-carboxylic acid
CID 112577140
2-tert-butyl-3-(3-methylbutyl)benzimidazole-4-carboxylic acid
CID 115932790
2-ethyl-3-(5-hydroxy-4-methylpentyl)benzimidazole-4-carboxylic acid
CID 106162414
2-methyl-3-(2-thiomorpholin-4-ylethyl)benzimidazole-4-carboxylic acid
CID 106326675
3-(4-hydroxybutyl)-2-propan-2-ylbenzimidazole-4-carboxylic acid
CID 106842848
3-[2-[cyclopropyl(methyl)amino]ethyl]-2-methylbenzimidazole-4-carboxylic acid
CID 115933325
2-methyl-3-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole-4-carboxylic acid
CID 106106057
2-methyl-3-[2-(1,3-thiazol-2-yl)ethyl]benzimidazole-4-carboxylic acid
CID 115933345

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-methylpentyl)benzimidazole-4-carboxylic acid?
The IUPAC name of 2-methyl-3-(4-methylpentyl)benzimidazole-4-carboxylic acid (CID 112577289) is 2-methyl-3-(4-methylpentyl)benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-methyl-3-(4-methylpentyl)benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-methyl-3-(4-methylpentyl)benzimidazole-4-carboxylic acid is Cc1nc2cccc(C(=O)O)c2n1CCCC(C)C.
What is the InChIKey of 2-methyl-3-(4-methylpentyl)benzimidazole-4-carboxylic acid?
The InChIKey is YCCQACAHUFEYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10(2)6-5-9-17-11(3)16-13-8-4-7-12(14(13)17)15(18)19/h4,7-8,10H,5-6,9H2,1-3H3,(H,18,19).
What are the key properties of 2-methyl-3-(4-methylpentyl)benzimidazole-4-carboxylic acid?
2-methyl-3-(4-methylpentyl)benzimidazole-4-carboxylic acid has a molecular weight of 260.34 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-methylpentyl)benzimidazole-4-carboxylic acid is sourced from PubChem (CID 112577289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).