1-(4-ethylphenyl)benzimidazole-4-carboxylic acid

C16H14N2O2 — CID 115542688

IUPAC1-(4-ethylphenyl)benzimidazole-4-carboxylic acid
SMILESCCc1ccc(-n2cnc3c(C(=O)O)cccc32)cc1
InChIInChI=1S/C16H14N2O2/c1-2-11-6-8-12(9-7-11)18-10-17-15-13(16(19)20)4-3-5-14(15)18/h3-10H,2H2,1H3,(H,19,20)
InChIKeyIYHWDPXKFTUUPU-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.29
Rot. Bonds3

About 1-(4-ethylphenyl)benzimidazole-4-carboxylic acid

1-(4-ethylphenyl)benzimidazole-4-carboxylic acid (PubChem CID 115542688) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(4-ethylphenyl)benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-ethylphenyl)benzimidazole-4-carboxylic acid
PubChem CID115542688
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name1-(4-ethylphenyl)benzimidazole-4-carboxylic acid
SMILESCCc1ccc(-n2cnc3c(C(=O)O)cccc32)cc1
InChIInChI=1S/C16H14N2O2/c1-2-11-6-8-12(9-7-11)18-10-17-15-13(16(19)20)4-3-5-14(15)18/h3-10H,2H2,1H3,(H,19,20)
InChIKeyIYHWDPXKFTUUPU-UHFFFAOYSA-N
XLogP3.29
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(dimethylamino)phenyl]benzimidazole-4-carboxylic acid
CID 115543982
1-pentan-3-ylbenzimidazole-4-carboxylic acid
CID 115542982
1-(3-cyanophenyl)benzimidazole-4-carboxylic acid
CID 115542701
1-(3-bromo-5-methoxyphenyl)benzimidazole-4-carboxylic acid
CID 82860467
1-(2,5-difluorophenyl)benzimidazole-4-carboxylic acid
CID 115542827
1-[1-(ethylamino)-1-oxopropan-2-yl]benzimidazole-4-carboxylic acid
CID 113332225
1-[5-(benzimidazol-1-yl)-2-phenylphenyl]benzimidazole-4-carboxylic acid
CID 141290744
1-(2,2-difluoroethyl)benzimidazole-4-carboxylic acid
CID 115543983
1-[(3-methylphenyl)methyl]benzimidazole-4-carboxylic acid
CID 115543177
1-(2-cyano-3-methylphenyl)benzimidazole-4-carboxylic acid
CID 107800016
1-(4-methylpiperazin-1-yl)benzimidazole-4-carboxylic acid
CID 83019459
1-[(2R)-1-hydroxy-3-methylbutan-2-yl]benzimidazole-4-carboxylic acid
CID 115543869

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)benzimidazole-4-carboxylic acid?
The IUPAC name of 1-(4-ethylphenyl)benzimidazole-4-carboxylic acid (CID 115542688) is 1-(4-ethylphenyl)benzimidazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-ethylphenyl)benzimidazole-4-carboxylic acid?
The canonical SMILES for 1-(4-ethylphenyl)benzimidazole-4-carboxylic acid is CCc1ccc(-n2cnc3c(C(=O)O)cccc32)cc1.
What is the InChIKey of 1-(4-ethylphenyl)benzimidazole-4-carboxylic acid?
The InChIKey is IYHWDPXKFTUUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-2-11-6-8-12(9-7-11)18-10-17-15-13(16(19)20)4-3-5-14(15)18/h3-10H,2H2,1H3,(H,19,20).
What are the key properties of 1-(4-ethylphenyl)benzimidazole-4-carboxylic acid?
1-(4-ethylphenyl)benzimidazole-4-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)benzimidazole-4-carboxylic acid is sourced from PubChem (CID 115542688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).