2-cyclobutyl-1-(2-methylpropyl)benzimidazole-5-carboxylic acid

C16H20N2O2 — CID 82488604

IUPAC2-cyclobutyl-1-(2-methylpropyl)benzimidazole-5-carboxylic acid
SMILESCC(C)Cn1c(C2CCC2)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C16H20N2O2/c1-10(2)9-18-14-7-6-12(16(19)20)8-13(14)17-15(18)11-4-3-5-11/h6-8,10-11H,3-5,9H2,1-2H3,(H,19,20)
InChIKeyHUYKIXZEXIRERW-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.66
Rot. Bonds4

About 2-cyclobutyl-1-(2-methylpropyl)benzimidazole-5-carboxylic acid

2-cyclobutyl-1-(2-methylpropyl)benzimidazole-5-carboxylic acid (PubChem CID 82488604) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-cyclobutyl-1-(2-methylpropyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-cyclobutyl-1-(2-methylpropyl)benzimidazole-5-carboxylic acid
PubChem CID82488604
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-cyclobutyl-1-(2-methylpropyl)benzimidazole-5-carboxylic acid
SMILESCC(C)Cn1c(C2CCC2)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C16H20N2O2/c1-10(2)9-18-14-7-6-12(16(19)20)8-13(14)17-15(18)11-4-3-5-11/h6-8,10-11H,3-5,9H2,1-2H3,(H,19,20)
InChIKeyHUYKIXZEXIRERW-UHFFFAOYSA-N
XLogP3.66
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyl-1-propylbenzimidazole-5-carboxylic acid
CID 82483518
2-cyclopentyl-1-(2-methylpropyl)benzimidazol-5-amine
CID 82380447
1-(2-methylpropyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 43322894
2-cyclopropyl-1-(2,2-dimethylbutyl)benzimidazole-5-carboxylic acid
CID 103463466
2-cyclopropyl-1-propan-2-ylbenzimidazole-5-carboxylic acid
CID 43322840
2-cyclopropyl-3-[2-(dimethylamino)propyl]benzimidazole-5-carboxylic acid
CID 82773918
2-cyclopropyl-1-[2-(ethylamino)-2-oxoethyl]benzimidazole-5-carboxylic acid
CID 43566686
2-cyclopropyl-1-(3-ethoxypropyl)benzimidazole-5-carboxylic acid
CID 43140489
1-tert-butyl-2-cyclopropylbenzimidazole-5-carboxylic acid
CID 43322785
2-cyclopropyl-3-(3-hydroxybutyl)benzimidazole-5-carboxylic acid
CID 82790323
4-[(2-cyclobutylbenzimidazol-1-yl)methyl]benzoic acid
CID 22716378
2-(2-methoxy-2-oxoethyl)sulfanyl-1-(2-methylpropyl)benzimidazole-5-carboxylic acid
CID 100947285

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(2-methylpropyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 2-cyclobutyl-1-(2-methylpropyl)benzimidazole-5-carboxylic acid (CID 82488604) is 2-cyclobutyl-1-(2-methylpropyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-cyclobutyl-1-(2-methylpropyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-cyclobutyl-1-(2-methylpropyl)benzimidazole-5-carboxylic acid is CC(C)Cn1c(C2CCC2)nc2cc(C(=O)O)ccc21.
What is the InChIKey of 2-cyclobutyl-1-(2-methylpropyl)benzimidazole-5-carboxylic acid?
The InChIKey is HUYKIXZEXIRERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10(2)9-18-14-7-6-12(16(19)20)8-13(14)17-15(18)11-4-3-5-11/h6-8,10-11H,3-5,9H2,1-2H3,(H,19,20).
What are the key properties of 2-cyclobutyl-1-(2-methylpropyl)benzimidazole-5-carboxylic acid?
2-cyclobutyl-1-(2-methylpropyl)benzimidazole-5-carboxylic acid has a molecular weight of 272.35 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(2-methylpropyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 82488604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).