4-(4-phenyl-4H-imidazol-5-yl)benzene-1,2-diol

C15H12N2O2 — CID 138112507

IUPAC4-(4-phenyl-4H-imidazol-5-yl)benzene-1,2-diol
SMILESOc1ccc(C2=NC=NC2c2ccccc2)cc1O
InChIInChI=1S/C15H12N2O2/c18-12-7-6-11(8-13(12)19)15-14(16-9-17-15)10-4-2-1-3-5-10/h1-9,14,18-19H
InChIKeyJIFHRBHGJVNNBT-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.67
Rot. Bonds2

About 4-(4-phenyl-4H-imidazol-5-yl)benzene-1,2-diol

4-(4-phenyl-4H-imidazol-5-yl)benzene-1,2-diol (PubChem CID 138112507) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-(4-phenyl-4H-imidazol-5-yl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(4-phenyl-4H-imidazol-5-yl)benzene-1,2-diol
PubChem CID138112507
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name4-(4-phenyl-4H-imidazol-5-yl)benzene-1,2-diol
SMILESOc1ccc(C2=NC=NC2c2ccccc2)cc1O
InChIInChI=1S/C15H12N2O2/c18-12-7-6-11(8-13(12)19)15-14(16-9-17-15)10-4-2-1-3-5-10/h1-9,14,18-19H
InChIKeyJIFHRBHGJVNNBT-UHFFFAOYSA-N
XLogP2.67
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.67
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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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenyl-4H-imidazol-5-yl)benzene-1,2-diol?
The IUPAC name of 4-(4-phenyl-4H-imidazol-5-yl)benzene-1,2-diol (CID 138112507) is 4-(4-phenyl-4H-imidazol-5-yl)benzene-1,2-diol.
What is the SMILES notation for 4-(4-phenyl-4H-imidazol-5-yl)benzene-1,2-diol?
The canonical SMILES for 4-(4-phenyl-4H-imidazol-5-yl)benzene-1,2-diol is Oc1ccc(C2=NC=NC2c2ccccc2)cc1O.
What is the InChIKey of 4-(4-phenyl-4H-imidazol-5-yl)benzene-1,2-diol?
The InChIKey is JIFHRBHGJVNNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-12-7-6-11(8-13(12)19)15-14(16-9-17-15)10-4-2-1-3-5-10/h1-9,14,18-19H.
What are the key properties of 4-(4-phenyl-4H-imidazol-5-yl)benzene-1,2-diol?
4-(4-phenyl-4H-imidazol-5-yl)benzene-1,2-diol has a molecular weight of 252.27 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenyl-4H-imidazol-5-yl)benzene-1,2-diol is sourced from PubChem (CID 138112507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).