4-[(2-cyclobutylbenzimidazol-1-yl)methyl]benzoic acid

C19H18N2O2 — CID 22716378

IUPAC4-[(2-cyclobutylbenzimidazol-1-yl)methyl]benzoic acid
SMILESO=C(O)c1ccc(Cn2c(C3CCC3)nc3ccccc32)cc1
InChIInChI=1S/C19H18N2O2/c22-19(23)15-10-8-13(9-11-15)12-21-17-7-2-1-6-16(17)20-18(21)14-4-3-5-14/h1-2,6-11,14H,3-5,12H2,(H,22,23)
InChIKeyBFANWDWUWJKXFM-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.05
Rot. Bonds4

About 4-[(2-cyclobutylbenzimidazol-1-yl)methyl]benzoic acid

4-[(2-cyclobutylbenzimidazol-1-yl)methyl]benzoic acid (PubChem CID 22716378) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-[(2-cyclobutylbenzimidazol-1-yl)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(2-cyclobutylbenzimidazol-1-yl)methyl]benzoic acid
PubChem CID22716378
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name4-[(2-cyclobutylbenzimidazol-1-yl)methyl]benzoic acid
SMILESO=C(O)c1ccc(Cn2c(C3CCC3)nc3ccccc32)cc1
InChIInChI=1S/C19H18N2O2/c22-19(23)15-10-8-13(9-11-15)12-21-17-7-2-1-6-16(17)20-18(21)14-4-3-5-14/h1-2,6-11,14H,3-5,12H2,(H,22,23)
InChIKeyBFANWDWUWJKXFM-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

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CID 82144581
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4-[[3-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzoic acid
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4-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid
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2-(2-cyclohexylbenzimidazol-1-yl)-1-piperidin-1-ylethanone
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4-[(2-pentan-3-ylbenzimidazol-1-yl)methyl]benzoic acid
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2-cyclopentyl-1-(2-phenylethyl)benzimidazole
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3-(2-cyclopropylbenzimidazol-1-yl)propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclobutylbenzimidazol-1-yl)methyl]benzoic acid?
The IUPAC name of 4-[(2-cyclobutylbenzimidazol-1-yl)methyl]benzoic acid (CID 22716378) is 4-[(2-cyclobutylbenzimidazol-1-yl)methyl]benzoic acid.
What is the SMILES notation for 4-[(2-cyclobutylbenzimidazol-1-yl)methyl]benzoic acid?
The canonical SMILES for 4-[(2-cyclobutylbenzimidazol-1-yl)methyl]benzoic acid is O=C(O)c1ccc(Cn2c(C3CCC3)nc3ccccc32)cc1.
What is the InChIKey of 4-[(2-cyclobutylbenzimidazol-1-yl)methyl]benzoic acid?
The InChIKey is BFANWDWUWJKXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c22-19(23)15-10-8-13(9-11-15)12-21-17-7-2-1-6-16(17)20-18(21)14-4-3-5-14/h1-2,6-11,14H,3-5,12H2,(H,22,23).
What are the key properties of 4-[(2-cyclobutylbenzimidazol-1-yl)methyl]benzoic acid?
4-[(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 4-[(2-cyclobutylbenzimidazol-1-yl)methyl]benzoic acid is sourced from PubChem (CID 22716378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).