1-phenylbenzimidazol-5-ol

C13H10N2O — CID 667662

IUPAC1-phenylbenzimidazol-5-ol
SMILESOc1ccc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C13H10N2O/c16-11-6-7-13-12(8-11)14-9-15(13)10-4-2-1-3-5-10/h1-9,16H
InChIKeyOQAPWZCMAFFBBL-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.73
Rot. Bonds1

About 1-phenylbenzimidazol-5-ol

1-phenylbenzimidazol-5-ol (PubChem CID 667662) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-phenylbenzimidazol-5-ol.

Molecular Properties

Compound Name1-phenylbenzimidazol-5-ol
PubChem CID667662
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name1-phenylbenzimidazol-5-ol
SMILESOc1ccc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C13H10N2O/c16-11-6-7-13-12(8-11)14-9-15(13)10-4-2-1-3-5-10/h1-9,16H
InChIKeyOQAPWZCMAFFBBL-UHFFFAOYSA-N
XLogP2.73
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenylbenzimidazol-5-ol?
The IUPAC name of 1-phenylbenzimidazol-5-ol (CID 667662) is 1-phenylbenzimidazol-5-ol.
What is the SMILES notation for 1-phenylbenzimidazol-5-ol?
The canonical SMILES for 1-phenylbenzimidazol-5-ol is Oc1ccc2c(c1)ncn2-c1ccccc1.
What is the InChIKey of 1-phenylbenzimidazol-5-ol?
The InChIKey is OQAPWZCMAFFBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c16-11-6-7-13-12(8-11)14-9-15(13)10-4-2-1-3-5-10/h1-9,16H.
What are the key properties of 1-phenylbenzimidazol-5-ol?
1-phenylbenzimidazol-5-ol has a molecular weight of 210.24 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylbenzimidazol-5-ol is sourced from PubChem (CID 667662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).