4-(1-benzyl-4,5-diphenylimidazol-2-yl)phenol

C28H22N2O — CID 3512989

IUPAC4-(1-benzyl-4,5-diphenylimidazol-2-yl)phenol
SMILESOc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2Cc2ccccc2)cc1
InChIInChI=1S/C28H22N2O/c31-25-18-16-24(17-19-25)28-29-26(22-12-6-2-7-13-22)27(23-14-8-3-9-15-23)30(28)20-21-10-4-1-5-11-21/h1-19,31H,20H2
InChIKeyOCXVNJOZYOAKTN-UHFFFAOYSA-N
MW402.50 g/mol
LogP6.64
Rot. Bonds5

About 4-(1-benzyl-4,5-diphenylimidazol-2-yl)phenol

4-(1-benzyl-4,5-diphenylimidazol-2-yl)phenol (PubChem CID 3512989) has the molecular formula C28H22N2O and a molecular weight of 402.50 g/mol. Its IUPAC name is 4-(1-benzyl-4,5-diphenylimidazol-2-yl)phenol.

Molecular Properties

Compound Name4-(1-benzyl-4,5-diphenylimidazol-2-yl)phenol
PubChem CID3512989
Molecular FormulaC28H22N2O
Molecular Weight402.50 g/mol
Exact Mass402.17
IUPAC Name4-(1-benzyl-4,5-diphenylimidazol-2-yl)phenol
SMILESOc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2Cc2ccccc2)cc1
InChIInChI=1S/C28H22N2O/c31-25-18-16-24(17-19-25)28-29-26(22-12-6-2-7-13-22)27(23-14-8-3-9-15-23)30(28)20-21-10-4-1-5-11-21/h1-19,31H,20H2
InChIKeyOCXVNJOZYOAKTN-UHFFFAOYSA-N
XLogP6.64
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzyl-4,5-diphenylimidazol-2-yl)phenol?
The IUPAC name of 4-(1-benzyl-4,5-diphenylimidazol-2-yl)phenol (CID 3512989) is 4-(1-benzyl-4,5-diphenylimidazol-2-yl)phenol.
What is the SMILES notation for 4-(1-benzyl-4,5-diphenylimidazol-2-yl)phenol?
The canonical SMILES for 4-(1-benzyl-4,5-diphenylimidazol-2-yl)phenol is Oc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2Cc2ccccc2)cc1.
What is the InChIKey of 4-(1-benzyl-4,5-diphenylimidazol-2-yl)phenol?
The InChIKey is OCXVNJOZYOAKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O/c31-25-18-16-24(17-19-25)28-29-26(22-12-6-2-7-13-22)27(23-14-8-3-9-15-23)30(28)20-21-10-4-1-5-11-21/h1-19,31H,20H2.
What are the key properties of 4-(1-benzyl-4,5-diphenylimidazol-2-yl)phenol?
4-(1-benzyl-4,5-diphenylimidazol-2-yl)phenol has a molecular weight of 402.50 g/mol, XLogP of 6.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzyl-4,5-diphenylimidazol-2-yl)phenol is sourced from PubChem (CID 3512989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).