1-phenylbenzimidazole-5,6-diol

C13H10N2O2 — CID 5328526

IUPAC1-phenylbenzimidazole-5,6-diol
SMILESOc1cc2ncn(-c3ccccc3)c2cc1O
InChIInChI=1S/C13H10N2O2/c16-12-6-10-11(7-13(12)17)15(8-14-10)9-4-2-1-3-5-9/h1-8,16-17H
InChIKeyFUGNZKDWKNTIQF-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.44
Rot. Bonds1

About 1-phenylbenzimidazole-5,6-diol

1-phenylbenzimidazole-5,6-diol (PubChem CID 5328526) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 1-phenylbenzimidazole-5,6-diol.

Molecular Properties

Compound Name1-phenylbenzimidazole-5,6-diol
PubChem CID5328526
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name1-phenylbenzimidazole-5,6-diol
SMILESOc1cc2ncn(-c3ccccc3)c2cc1O
InChIInChI=1S/C13H10N2O2/c16-12-6-10-11(7-13(12)17)15(8-14-10)9-4-2-1-3-5-9/h1-8,16-17H
InChIKeyFUGNZKDWKNTIQF-UHFFFAOYSA-N
XLogP2.44
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-(1H-1,3-benzodiazol-1-yl)phenol
CID 5328449
6-Methoxy-1-phenyl-1H-benzimidazole
CID 652633
1-Phenyl-5-hydroxybenzimidazole
CID 667662
1H-Benzimidazole, 5-methoxy-1-phenyl-
CID 5328466
5-ethoxy-1-phenyl-1H-1,3-benzodiazole
CID 5328497
1-phenyl-5-propoxy-1H-1,3-benzodiazole
CID 5328498
1-phenyl-5-(prop-2-en-1-yloxy)-1H-1,3-benzodiazole
CID 5328501
4-[(1-phenyl-1H-1,3-benzodiazol-5-yl)oxy]butan-1-ol
CID 5328502
5-(2,3-Epoxypropoxy)-1-phenylbenzimidazole
CID 5328503
3-[(1-phenyl-1H-1,3-benzodiazol-5-yl)oxy]propane-1,2-diol
CID 5328504
4-(5-methoxy-1H-1,3-benzodiazol-1-yl)aniline
CID 5328512
1-phenyl-1H-1,3-benzodiazole-4,5-diol
CID 5328517

Frequently Asked Questions

What is the IUPAC name of 1-phenylbenzimidazole-5,6-diol?
The IUPAC name of 1-phenylbenzimidazole-5,6-diol (CID 5328526) is 1-phenylbenzimidazole-5,6-diol.
What is the SMILES notation for 1-phenylbenzimidazole-5,6-diol?
The canonical SMILES for 1-phenylbenzimidazole-5,6-diol is Oc1cc2ncn(-c3ccccc3)c2cc1O.
What is the InChIKey of 1-phenylbenzimidazole-5,6-diol?
The InChIKey is FUGNZKDWKNTIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c16-12-6-10-11(7-13(12)17)15(8-14-10)9-4-2-1-3-5-9/h1-8,16-17H.
What are the key properties of 1-phenylbenzimidazole-5,6-diol?
1-phenylbenzimidazole-5,6-diol has a molecular weight of 226.24 g/mol, XLogP of 2.44, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylbenzimidazole-5,6-diol is sourced from PubChem (CID 5328526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).