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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Related Compounds

2-(4,5-diphenyl-1H-imidazol-2-yl)-Phenol
CID 314542
4-(4,5-Diphenyl-1H-imidazol-2-yl)phenol (for Biochemical Research)
CID 352144
2-[1-(2-hydroxybenzyl)-1H-benzimidazol-2-yl]phenol
CID 682797
3-[4,5-bis({[1,1'-biphenyl]-4-yl})-1H-imidazol-2-yl]phenol
CID 2259222
5-ethyl-1,2,4-tris(4-hydroxyphenyl)-1H-imidazole
CID 135502974
4-(5-phenyl-2-(trifluoromethyl)-1H-imidazol-4-yl)phenol
CID 10470279
1-[(4-Hydroxyphenyl)methyl]-3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]benzimidazol-2-one
CID 11259244
4-[[5-(4-Fluorophenyl)imidazo[4,5-b]pyrazin-3-yl]methyl]phenol
CID 11347754
4-[4,5-Bis[4-(dimethylamino)phenyl]-1-(2-phenylethyl)imidazol-2-yl]phenol
CID 135734282
4-(6-Phenylimidazo[1,2-a]pyrazin-3-yl)phenol
CID 141381328
3-(4,5-diphenyl-1H-imidazol-2-yl)phenol
CID 352145
Phenol, 4-((2-(4-hydroxyphenyl)-1H-benzimidazol-1-yl)methyl)-
CID 373076

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).