3-(1-benzyl-4,5-diphenylimidazol-2-yl)phenol

C28H22N2O — CID 11014921

IUPAC3-(1-benzyl-4,5-diphenylimidazol-2-yl)phenol
SMILESOc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2Cc2ccccc2)c1
InChIInChI=1S/C28H22N2O/c31-25-18-10-17-24(19-25)28-29-26(22-13-6-2-7-14-22)27(23-15-8-3-9-16-23)30(28)20-21-11-4-1-5-12-21/h1-19,31H,20H2
InChIKeyGBHOKYOGGYIRIM-UHFFFAOYSA-N
MW402.50 g/mol
LogP6.64
Rot. Bonds5

About 3-(1-benzyl-4,5-diphenylimidazol-2-yl)phenol

3-(1-benzyl-4,5-diphenylimidazol-2-yl)phenol (PubChem CID 11014921) has the molecular formula C28H22N2O and a molecular weight of 402.50 g/mol. Its IUPAC name is 3-(1-benzyl-4,5-diphenylimidazol-2-yl)phenol.

Molecular Properties

Compound Name3-(1-benzyl-4,5-diphenylimidazol-2-yl)phenol
PubChem CID11014921
Molecular FormulaC28H22N2O
Molecular Weight402.50 g/mol
Exact Mass402.17
IUPAC Name3-(1-benzyl-4,5-diphenylimidazol-2-yl)phenol
SMILESOc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2Cc2ccccc2)c1
InChIInChI=1S/C28H22N2O/c31-25-18-10-17-24(19-25)28-29-26(22-13-6-2-7-14-22)27(23-15-8-3-9-16-23)30(28)20-21-11-4-1-5-12-21/h1-19,31H,20H2
InChIKeyGBHOKYOGGYIRIM-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

1-benzyl-2-(4-iodophenyl)-4,5-diphenylimidazole
CID 139218774
3-[[2-(3-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol
CID 888730
1-[2-(3-hydroxyphenyl)-4,5-diphenylimidazol-1-yl]ethanone
CID 139841121
3-(1-benzyl-4-methylimidazol-2-yl)phenol
CID 83971137
1-benzyl-2,4,5-tris[3,5-bis(trifluoromethyl)phenyl]imidazole
CID 138757291
3-[[2-(3-methylphenyl)benzimidazol-1-yl]methyl]phenol
CID 15388681
1-[(3,4-dimethoxyphenyl)methyl]-2,4,5-triphenylimidazole
CID 134953177
1-benzyl-4,5-diphenyl-2-propan-2-ylimidazole
CID 102274301
N,1-dibenzyl-4,5-diphenylimidazol-2-amine
CID 66561407
2-phenyl-5-[[2,4,5-tris(4-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid
CID 174813442
2-[2-(4-hydroxyphenyl)-4,5-diphenylimidazol-1-yl]acetohydrazide
CID 171053517
N'-methyl-N-[2-[4-[(2,4,5-triphenylimidazol-1-yl)methyl]phenyl]phenyl]sulfonylethanimidamide
CID 70144596

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzyl-4,5-diphenylimidazol-2-yl)phenol?
The IUPAC name of 3-(1-benzyl-4,5-diphenylimidazol-2-yl)phenol (CID 11014921) is 3-(1-benzyl-4,5-diphenylimidazol-2-yl)phenol.
What is the SMILES notation for 3-(1-benzyl-4,5-diphenylimidazol-2-yl)phenol?
The canonical SMILES for 3-(1-benzyl-4,5-diphenylimidazol-2-yl)phenol is Oc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2Cc2ccccc2)c1.
What is the InChIKey of 3-(1-benzyl-4,5-diphenylimidazol-2-yl)phenol?
The InChIKey is GBHOKYOGGYIRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O/c31-25-18-10-17-24(19-25)28-29-26(22-13-6-2-7-14-22)27(23-15-8-3-9-16-23)30(28)20-21-11-4-1-5-12-21/h1-19,31H,20H2.
What are the key properties of 3-(1-benzyl-4,5-diphenylimidazol-2-yl)phenol?
3-(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 3-(1-benzyl-4,5-diphenylimidazol-2-yl)phenol is sourced from PubChem (CID 11014921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).