2-[(2-cyclobutylbenzimidazol-1-yl)methyl]benzoic acid

C19H18N2O2 — CID 94747736

IUPAC2-[(2-cyclobutylbenzimidazol-1-yl)methyl]benzoic acid
SMILESO=C(O)c1ccccc1Cn1c(C2CCC2)nc2ccccc21
InChIInChI=1S/C19H18N2O2/c22-19(23)15-9-2-1-6-14(15)12-21-17-11-4-3-10-16(17)20-18(21)13-7-5-8-13/h1-4,6,9-11,13H,5,7-8,12H2,(H,22,23)
InChIKeyWWDQGZIQDKHLKR-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.05
Rot. Bonds4

About 2-[(2-cyclobutylbenzimidazol-1-yl)methyl]benzoic acid

2-[(2-cyclobutylbenzimidazol-1-yl)methyl]benzoic acid (PubChem CID 94747736) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-[(2-cyclobutylbenzimidazol-1-yl)methyl]benzoic acid.

Molecular Properties

Compound Name2-[(2-cyclobutylbenzimidazol-1-yl)methyl]benzoic acid
PubChem CID94747736
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name2-[(2-cyclobutylbenzimidazol-1-yl)methyl]benzoic acid
SMILESO=C(O)c1ccccc1Cn1c(C2CCC2)nc2ccccc21
InChIInChI=1S/C19H18N2O2/c22-19(23)15-9-2-1-6-14(15)12-21-17-11-4-3-10-16(17)20-18(21)13-7-5-8-13/h1-4,6,9-11,13H,5,7-8,12H2,(H,22,23)
InChIKeyWWDQGZIQDKHLKR-UHFFFAOYSA-N
XLogP4.05
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-cyclobutylbenzimidazol-1-yl)methyl]benzoic acid
CID 22716378
1-(azepan-1-yl)-2-(2-cyclohexylbenzimidazol-1-yl)ethanone
CID 16996658
2-(2-cyclohexylbenzimidazol-1-yl)-1-piperidin-1-ylethanone
CID 16996660
3-[(2-cyclopropylbenzimidazol-1-yl)methyl]benzoic acid
CID 82144581
3-(2-cyclopropylbenzimidazol-1-yl)propanoic acid
CID 28752852
2-cyclopropyl-3-[(2-fluorophenyl)methyl]benzimidazole-5-carboxylic acid
CID 18681002
2-cyclopentyl-1-(2-phenylethyl)benzimidazole
CID 102490479
2-(2-cyclohexylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 17028725
4-[(2-cyclohexylbenzimidazol-1-yl)methyl]aniline
CID 82150076
2-cyclopentyl-1-(3-phenylpropyl)benzimidazole
CID 134083928
1-[(2-chlorocyclopropyl)methyl]-2-cyclohexylbenzimidazole
CID 18878714
2-fluoro-3-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid
CID 107119584

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclobutylbenzimidazol-1-yl)methyl]benzoic acid?
The IUPAC name of 2-[(2-cyclobutylbenzimidazol-1-yl)methyl]benzoic acid (CID 94747736) is 2-[(2-cyclobutylbenzimidazol-1-yl)methyl]benzoic acid.
What is the SMILES notation for 2-[(2-cyclobutylbenzimidazol-1-yl)methyl]benzoic acid?
The canonical SMILES for 2-[(2-cyclobutylbenzimidazol-1-yl)methyl]benzoic acid is O=C(O)c1ccccc1Cn1c(C2CCC2)nc2ccccc21.
What is the InChIKey of 2-[(2-cyclobutylbenzimidazol-1-yl)methyl]benzoic acid?
The InChIKey is WWDQGZIQDKHLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c22-19(23)15-9-2-1-6-14(15)12-21-17-11-4-3-10-16(17)20-18(21)13-7-5-8-13/h1-4,6,9-11,13H,5,7-8,12H2,(H,22,23).
What are the key properties of 2-[(2-cyclobutylbenzimidazol-1-yl)methyl]benzoic acid?
2-[(2-cyclobutylbenzimidazol-1-yl)methyl]benzoic acid has a molecular weight of 306.37 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclobutylbenzimidazol-1-yl)methyl]benzoic acid is sourced from PubChem (CID 94747736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).