1-(2-propylphenyl)benzimidazole-5-carboxylic acid

C17H16N2O2 — CID 63549717

IUPAC1-(2-propylphenyl)benzimidazole-5-carboxylic acid
SMILESCCCc1ccccc1-n1cnc2cc(C(=O)O)ccc21
InChIInChI=1S/C17H16N2O2/c1-2-5-12-6-3-4-7-15(12)19-11-18-14-10-13(17(20)21)8-9-16(14)19/h3-4,6-11H,2,5H2,1H3,(H,20,21)
InChIKeyZBYLXYHPURISDJ-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.68
Rot. Bonds4

About 1-(2-propylphenyl)benzimidazole-5-carboxylic acid

1-(2-propylphenyl)benzimidazole-5-carboxylic acid (PubChem CID 63549717) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-(2-propylphenyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2-propylphenyl)benzimidazole-5-carboxylic acid
PubChem CID63549717
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name1-(2-propylphenyl)benzimidazole-5-carboxylic acid
SMILESCCCc1ccccc1-n1cnc2cc(C(=O)O)ccc21
InChIInChI=1S/C17H16N2O2/c1-2-5-12-6-3-4-7-15(12)19-11-18-14-10-13(17(20)21)8-9-16(14)19/h3-4,6-11H,2,5H2,1H3,(H,20,21)
InChIKeyZBYLXYHPURISDJ-UHFFFAOYSA-N
XLogP3.68
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-4-methylphenyl)benzimidazole-5-carboxylic acid
CID 43566633
1-(2-ethylphenyl)benzimidazole
CID 22078308
1-(5-bromo-2-methylphenyl)benzimidazole-5-carboxylic acid
CID 43806541
3-(2-iodophenyl)benzimidazole-5-carboxylic acid
CID 82790606
N-ethyl-1-(2-methoxyphenyl)-N-propylbenzimidazole-5-carboxamide
CID 156811262
ethyl 1-phenylbenzimidazole-5-carboxylate
CID 175878732
1-(3-bromophenyl)benzimidazole-5-carboxylic acid;ethane
CID 143546276
1-(5-bromo-2-fluorophenyl)benzimidazole-5-carboxylic acid
CID 43566681
1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid
CID 4525945
1-butan-2-ylbenzimidazole-5-carboxylic acid
CID 43566656
1-(1,5-dimethylpyrazol-3-yl)benzimidazole-5-carboxylic acid
CID 114253802
1-hexan-3-ylbenzimidazole-5-carboxylic acid
CID 62118038

Frequently Asked Questions

What is the IUPAC name of 1-(2-propylphenyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 1-(2-propylphenyl)benzimidazole-5-carboxylic acid (CID 63549717) is 1-(2-propylphenyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-(2-propylphenyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-(2-propylphenyl)benzimidazole-5-carboxylic acid is CCCc1ccccc1-n1cnc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-(2-propylphenyl)benzimidazole-5-carboxylic acid?
The InChIKey is ZBYLXYHPURISDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-2-5-12-6-3-4-7-15(12)19-11-18-14-10-13(17(20)21)8-9-16(14)19/h3-4,6-11H,2,5H2,1H3,(H,20,21).
What are the key properties of 1-(2-propylphenyl)benzimidazole-5-carboxylic acid?
1-(2-propylphenyl)benzimidazole-5-carboxylic acid has a molecular weight of 280.33 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propylphenyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 63549717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).