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

C19H20N2O2 — CID 14987298

IUPAC4-[(2-butylbenzimidazol-1-yl)methyl]benzoic acid
SMILESCCCCc1nc2ccccc2n1Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C19H20N2O2/c1-2-3-8-18-20-16-6-4-5-7-17(16)21(18)13-14-9-11-15(12-10-14)19(22)23/h4-7,9-12H,2-3,8,13H2,1H3,(H,22,23)
InChIKeyAYUAYHAZNQPDLH-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.13
Rot. Bonds6

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

4-[(2-butylbenzimidazol-1-yl)methyl]benzoic acid (PubChem CID 14987298) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-[(2-butylbenzimidazol-1-yl)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(2-butylbenzimidazol-1-yl)methyl]benzoic acid
PubChem CID14987298
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name4-[(2-butylbenzimidazol-1-yl)methyl]benzoic acid
SMILESCCCCc1nc2ccccc2n1Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C19H20N2O2/c1-2-3-8-18-20-16-6-4-5-7-17(16)21(18)13-14-9-11-15(12-10-14)19(22)23/h4-7,9-12H,2-3,8,13H2,1H3,(H,22,23)
InChIKeyAYUAYHAZNQPDLH-UHFFFAOYSA-N
XLogP4.13
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-butylbenzimidazol-1-yl)methyl]aniline
CID 54524981
N-(benzenesulfonyl)-4-[(2-butylbenzimidazol-1-yl)methyl]benzamide
CID 19806374
5-[(2-butylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid
CID 82144541
1-[(4-chlorophenyl)methyl]-2-pentylbenzimidazole
CID 4627166
4-[(2-butylbenzimidazol-1-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide
CID 19806375
4-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid
CID 6498814
1-benzyl-2-propylbenzimidazole
CID 764560
1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole
CID 21369618
4-[[2-butyl-5-(piperazine-1-carbonyl)benzimidazol-1-yl]methyl]benzoic acid
CID 67300414
4-[(2-pentan-3-ylbenzimidazol-1-yl)methyl]benzoic acid
CID 94723430
2-[(2-butylbenzimidazol-1-yl)methyl]-1,3-thiazole-4-carboxylic acid
CID 39148045
4-[(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]benzoic acid
CID 82070616

Frequently Asked Questions

What is the IUPAC name of 4-[(2-butylbenzimidazol-1-yl)methyl]benzoic acid?
The IUPAC name of 4-[(2-butylbenzimidazol-1-yl)methyl]benzoic acid (CID 14987298) is 4-[(2-butylbenzimidazol-1-yl)methyl]benzoic acid.
What is the SMILES notation for 4-[(2-butylbenzimidazol-1-yl)methyl]benzoic acid?
The canonical SMILES for 4-[(2-butylbenzimidazol-1-yl)methyl]benzoic acid is CCCCc1nc2ccccc2n1Cc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(2-butylbenzimidazol-1-yl)methyl]benzoic acid?
The InChIKey is AYUAYHAZNQPDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-2-3-8-18-20-16-6-4-5-7-17(16)21(18)13-14-9-11-15(12-10-14)19(22)23/h4-7,9-12H,2-3,8,13H2,1H3,(H,22,23).
What are the key properties of 4-[(2-butylbenzimidazol-1-yl)methyl]benzoic acid?
4-[(2-butylbenzimidazol-1-yl)methyl]benzoic acid has a molecular weight of 308.38 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-butylbenzimidazol-1-yl)methyl]benzoic acid is sourced from PubChem (CID 14987298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).