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

C13H14N2O2 — CID 112577261

IUPAC2-methyl-3-(2-methylcyclopropyl)benzimidazole-4-carboxylic acid
SMILESCc1nc2cccc(C(=O)O)c2n1C1CC1C
InChIInChI=1S/C13H14N2O2/c1-7-6-11(7)15-8(2)14-10-5-3-4-9(12(10)15)13(16)17/h3-5,7,11H,6H2,1-2H3,(H,16,17)
InChIKeySCKHDJLWDLNWFQ-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.62
Rot. Bonds2

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

2-methyl-3-(2-methylcyclopropyl)benzimidazole-4-carboxylic acid (PubChem CID 112577261) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-methyl-3-(2-methylcyclopropyl)benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-(2-methylcyclopropyl)benzimidazole-4-carboxylic acid
PubChem CID112577261
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-methyl-3-(2-methylcyclopropyl)benzimidazole-4-carboxylic acid
SMILESCc1nc2cccc(C(=O)O)c2n1C1CC1C
InChIInChI=1S/C13H14N2O2/c1-7-6-11(7)15-8(2)14-10-5-3-4-9(12(10)15)13(16)17/h3-5,7,11H,6H2,1-2H3,(H,16,17)
InChIKeySCKHDJLWDLNWFQ-UHFFFAOYSA-N
XLogP2.62
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methylbenzimidazole-4-carboxylic acid
CID 115933139
3-(2-cyclopropylethyl)-2-methylbenzimidazole-4-carboxylic acid
CID 112577362
2-methyl-3-(2-methylphenyl)benzimidazole-4-carboxylic acid
CID 115932661
2-methyl-3-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole-4-carboxylic acid
CID 106106057
3-[2-[cyclopropyl(methyl)amino]ethyl]-2-methylbenzimidazole-4-carboxylic acid
CID 115933325
3-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbenzimidazole-4-carboxylic acid
CID 115932955
2-cyclopropyl-3-(2,2-dimethylcyclopropyl)benzimidazole-4-carboxylic acid
CID 115933226
3-(2,3-dimethylbutyl)-2-methylbenzimidazole-4-carboxylic acid
CID 112577342
2-methyl-3-(2-methylsulfanylethyl)benzimidazole-4-carboxylic acid
CID 112577314
2-methyl-3-[2-(methylamino)-2-oxoethyl]benzimidazole-4-carboxylic acid
CID 112577140
3-cyclobutyl-2-propylbenzimidazole-4-carboxylic acid
CID 112577260
2-methyl-3-(2-thiomorpholin-4-ylethyl)benzimidazole-4-carboxylic acid
CID 106326675

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylcyclopropyl)benzimidazole-4-carboxylic acid?
The IUPAC name of 2-methyl-3-(2-methylcyclopropyl)benzimidazole-4-carboxylic acid (CID 112577261) is 2-methyl-3-(2-methylcyclopropyl)benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-methyl-3-(2-methylcyclopropyl)benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-methyl-3-(2-methylcyclopropyl)benzimidazole-4-carboxylic acid is Cc1nc2cccc(C(=O)O)c2n1C1CC1C.
What is the InChIKey of 2-methyl-3-(2-methylcyclopropyl)benzimidazole-4-carboxylic acid?
The InChIKey is SCKHDJLWDLNWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-7-6-11(7)15-8(2)14-10-5-3-4-9(12(10)15)13(16)17/h3-5,7,11H,6H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-3-(2-methylcyclopropyl)benzimidazole-4-carboxylic acid?
2-methyl-3-(2-methylcyclopropyl)benzimidazole-4-carboxylic acid has a molecular weight of 230.27 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylcyclopropyl)benzimidazole-4-carboxylic acid is sourced from PubChem (CID 112577261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).