6-hydroxy-3-phenylbenzimidazole-5-carboxylic acid

C14H10N2O3 — CID 5328531

IUPAC6-hydroxy-3-phenylbenzimidazole-5-carboxylic acid
SMILESO=C(O)c1cc2c(cc1O)ncn2-c1ccccc1
InChIInChI=1S/C14H10N2O3/c17-13-7-11-12(6-10(13)14(18)19)16(8-15-11)9-4-2-1-3-5-9/h1-8,17H,(H,18,19)
InChIKeyFVMWOYILISEIBR-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.43
Rot. Bonds2

About 6-hydroxy-3-phenylbenzimidazole-5-carboxylic acid

6-hydroxy-3-phenylbenzimidazole-5-carboxylic acid (PubChem CID 5328531) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 6-hydroxy-3-phenylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-3-phenylbenzimidazole-5-carboxylic acid
PubChem CID5328531
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name6-hydroxy-3-phenylbenzimidazole-5-carboxylic acid
SMILESO=C(O)c1cc2c(cc1O)ncn2-c1ccccc1
InChIInChI=1S/C14H10N2O3/c17-13-7-11-12(6-10(13)14(18)19)16(8-15-11)9-4-2-1-3-5-9/h1-8,17H,(H,18,19)
InChIKeyFVMWOYILISEIBR-UHFFFAOYSA-N
XLogP2.43
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-phenylbenzimidazole-5-carboxylic acid?
The IUPAC name of 6-hydroxy-3-phenylbenzimidazole-5-carboxylic acid (CID 5328531) is 6-hydroxy-3-phenylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 6-hydroxy-3-phenylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 6-hydroxy-3-phenylbenzimidazole-5-carboxylic acid is O=C(O)c1cc2c(cc1O)ncn2-c1ccccc1.
What is the InChIKey of 6-hydroxy-3-phenylbenzimidazole-5-carboxylic acid?
The InChIKey is FVMWOYILISEIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c17-13-7-11-12(6-10(13)14(18)19)16(8-15-11)9-4-2-1-3-5-9/h1-8,17H,(H,18,19).
What are the key properties of 6-hydroxy-3-phenylbenzimidazole-5-carboxylic acid?
6-hydroxy-3-phenylbenzimidazole-5-carboxylic acid has a molecular weight of 254.25 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-phenylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 5328531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).