1-phenylbenzimidazol-4-olate

C13H9N2O- — CID 22090442

IUPAC1-phenylbenzimidazol-4-olate
SMILES[O-]c1cccc2c1ncn2-c1ccccc1
InChIInChI=1S/C13H10N2O/c16-12-8-4-7-11-13(12)14-9-15(11)10-5-2-1-3-6-10/h1-9,16H/p-1
InChIKeyBUROQXWUPWBHDF-UHFFFAOYSA-M
MW209.23 g/mol
LogP2.10
Rot. Bonds1

About 1-phenylbenzimidazol-4-olate

1-phenylbenzimidazol-4-olate (PubChem CID 22090442) has the molecular formula C13H9N2O- and a molecular weight of 209.23 g/mol. Its IUPAC name is 1-phenylbenzimidazol-4-olate.

Molecular Properties

Compound Name1-phenylbenzimidazol-4-olate
PubChem CID22090442
Molecular FormulaC13H9N2O-
Molecular Weight209.23 g/mol
Exact Mass209.07
IUPAC Name1-phenylbenzimidazol-4-olate
SMILES[O-]c1cccc2c1ncn2-c1ccccc1
InChIInChI=1S/C13H10N2O/c16-12-8-4-7-11-13(12)14-9-15(11)10-5-2-1-3-6-10/h1-9,16H/p-1
InChIKeyBUROQXWUPWBHDF-UHFFFAOYSA-M
XLogP2.10
TPSA40.88 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenylbenzimidazol-4-olate?
The IUPAC name of 1-phenylbenzimidazol-4-olate (CID 22090442) is 1-phenylbenzimidazol-4-olate.
What is the SMILES notation for 1-phenylbenzimidazol-4-olate?
The canonical SMILES for 1-phenylbenzimidazol-4-olate is [O-]c1cccc2c1ncn2-c1ccccc1.
What is the InChIKey of 1-phenylbenzimidazol-4-olate?
The InChIKey is BUROQXWUPWBHDF-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H10N2O/c16-12-8-4-7-11-13(12)14-9-15(11)10-5-2-1-3-6-10/h1-9,16H/p-1.
What are the key properties of 1-phenylbenzimidazol-4-olate?
1-phenylbenzimidazol-4-olate has a molecular weight of 209.23 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylbenzimidazol-4-olate is sourced from PubChem (CID 22090442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).