2-cyclopropyl-1-(1-methylcyclopropyl)benzimidazole-4-carboxylic acid

C15H16N2O2 — CID 113485836

IUPAC2-cyclopropyl-1-(1-methylcyclopropyl)benzimidazole-4-carboxylic acid
SMILESCC1(n2c(C3CC3)nc3c(C(=O)O)cccc32)CC1
InChIInChI=1S/C15H16N2O2/c1-15(7-8-15)17-11-4-2-3-10(14(18)19)12(11)16-13(17)9-5-6-9/h2-4,9H,5-8H2,1H3,(H,18,19)
InChIKeyXHSFFESXMIUKNM-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.12
Rot. Bonds3

About 2-cyclopropyl-1-(1-methylcyclopropyl)benzimidazole-4-carboxylic acid

2-cyclopropyl-1-(1-methylcyclopropyl)benzimidazole-4-carboxylic acid (PubChem CID 113485836) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-cyclopropyl-1-(1-methylcyclopropyl)benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-1-(1-methylcyclopropyl)benzimidazole-4-carboxylic acid
PubChem CID113485836
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name2-cyclopropyl-1-(1-methylcyclopropyl)benzimidazole-4-carboxylic acid
SMILESCC1(n2c(C3CC3)nc3c(C(=O)O)cccc32)CC1
InChIInChI=1S/C15H16N2O2/c1-15(7-8-15)17-11-4-2-3-10(14(18)19)12(11)16-13(17)9-5-6-9/h2-4,9H,5-8H2,1H3,(H,18,19)
InChIKeyXHSFFESXMIUKNM-UHFFFAOYSA-N
XLogP3.12
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-1-(dimethylamino)benzimidazole-4-carboxylic acid
CID 83019782
1-tert-butyl-2-cyclopropylbenzimidazole-4-carboxylic acid
CID 115542790
1-cyclobutyl-2-cyclopropylbenzimidazole-4-carboxylic acid
CID 115543497
2-cyclopropyl-1-(1-methylpyrrolidin-3-yl)benzimidazole-4-carboxylic acid
CID 115543220
2-cyclopropyl-1-(2-ethoxyethyl)benzimidazole-4-carboxylic acid
CID 115543140
2-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)benzimidazole-4-carboxylic acid
CID 115543789
2-cyclopropyl-1-[2-(ethylamino)-2-oxoethyl]benzimidazole-4-carboxylic acid
CID 115543126
2-chloro-1-cyclopropylbenzimidazole-4-carboxylic acid
CID 83842366
2-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazole-4-carboxylic acid
CID 114101514
2-cyclopropyl-3-(2,2-dimethylcyclopropyl)benzimidazole-4-carboxylic acid
CID 115933226
2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-4-carboxylic acid;platinum
CID 91868096
2-[4-(dimethylamino)piperidin-1-yl]-1-methylbenzimidazole-4-carboxylic acid
CID 151822810

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(1-methylcyclopropyl)benzimidazole-4-carboxylic acid?
The IUPAC name of 2-cyclopropyl-1-(1-methylcyclopropyl)benzimidazole-4-carboxylic acid (CID 113485836) is 2-cyclopropyl-1-(1-methylcyclopropyl)benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-1-(1-methylcyclopropyl)benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-1-(1-methylcyclopropyl)benzimidazole-4-carboxylic acid is CC1(n2c(C3CC3)nc3c(C(=O)O)cccc32)CC1.
What is the InChIKey of 2-cyclopropyl-1-(1-methylcyclopropyl)benzimidazole-4-carboxylic acid?
The InChIKey is XHSFFESXMIUKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-15(7-8-15)17-11-4-2-3-10(14(18)19)12(11)16-13(17)9-5-6-9/h2-4,9H,5-8H2,1H3,(H,18,19).
What are the key properties of 2-cyclopropyl-1-(1-methylcyclopropyl)benzimidazole-4-carboxylic acid?
2-cyclopropyl-1-(1-methylcyclopropyl)benzimidazole-4-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(1-methylcyclopropyl)benzimidazole-4-carboxylic acid is sourced from PubChem (CID 113485836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).