1-phenylbenzimidazole-5-carboxylic acid

C14H10N2O2 — CID 5328468

IUPAC1-phenylbenzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C14H10N2O2/c17-14(18)10-6-7-13-12(8-10)15-9-16(13)11-4-2-1-3-5-11/h1-9H,(H,17,18)
InChIKeyQTVKJLNIUBHSTK-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.72
Rot. Bonds2

About 1-phenylbenzimidazole-5-carboxylic acid

1-phenylbenzimidazole-5-carboxylic acid (PubChem CID 5328468) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-phenylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-phenylbenzimidazole-5-carboxylic acid
PubChem CID5328468
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name1-phenylbenzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C14H10N2O2/c17-14(18)10-6-7-13-12(8-10)15-9-16(13)11-4-2-1-3-5-11/h1-9H,(H,17,18)
InChIKeyQTVKJLNIUBHSTK-UHFFFAOYSA-N
XLogP2.72
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenylbenzimidazole-5-carboxylic acid?
The IUPAC name of 1-phenylbenzimidazole-5-carboxylic acid (CID 5328468) is 1-phenylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-phenylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 1-phenylbenzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)ncn2-c1ccccc1.
What is the InChIKey of 1-phenylbenzimidazole-5-carboxylic acid?
The InChIKey is QTVKJLNIUBHSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c17-14(18)10-6-7-13-12(8-10)15-9-16(13)11-4-2-1-3-5-11/h1-9H,(H,17,18).
What are the key properties of 1-phenylbenzimidazole-5-carboxylic acid?
1-phenylbenzimidazole-5-carboxylic acid has a molecular weight of 238.25 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 5328468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).