1-[2-(3-hydroxyphenyl)-4,5-diphenylimidazol-1-yl]ethanone

C23H18N2O2 — CID 139841121

IUPAC1-[2-(3-hydroxyphenyl)-4,5-diphenylimidazol-1-yl]ethanone
SMILESCC(=O)n1c(-c2cccc(O)c2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C23H18N2O2/c1-16(26)25-22(18-11-6-3-7-12-18)21(17-9-4-2-5-10-17)24-23(25)19-13-8-14-20(27)15-19/h2-15,27H,1H3
InChIKeyPHADZKYYOXJJBI-UHFFFAOYSA-N
MW354.41 g/mol
LogP5.25
Rot. Bonds3

About 1-[2-(3-hydroxyphenyl)-4,5-diphenylimidazol-1-yl]ethanone

1-[2-(3-hydroxyphenyl)-4,5-diphenylimidazol-1-yl]ethanone (PubChem CID 139841121) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-[2-(3-hydroxyphenyl)-4,5-diphenylimidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(3-hydroxyphenyl)-4,5-diphenylimidazol-1-yl]ethanone
PubChem CID139841121
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name1-[2-(3-hydroxyphenyl)-4,5-diphenylimidazol-1-yl]ethanone
SMILESCC(=O)n1c(-c2cccc(O)c2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C23H18N2O2/c1-16(26)25-22(18-11-6-3-7-12-18)21(17-9-4-2-5-10-17)24-23(25)19-13-8-14-20(27)15-19/h2-15,27H,1H3
InChIKeyPHADZKYYOXJJBI-UHFFFAOYSA-N
XLogP5.25
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.41
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-benzyl-4,5-diphenylimidazol-2-yl)phenol
CID 11014921
3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenol
CID 28942281
2-[2-(3-hydroxyphenyl)benzimidazol-1-yl]butanoic acid
CID 82162057
3-(3-hydroxyphenyl)-2-methylbenzoic acid
CID 53224960
(4,5-diphenylimidazol-1-yl)-(3-methylphenyl)methanone
CID 78582219
3-[2-(3-hydroxyphenyl)-4-methylimidazol-1-yl]propanoic acid
CID 83971153
1-methyl-2-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-4,5-diphenylimidazole
CID 102256803
1-(2,3,5-triphenylpyrrol-1-yl)ethanone
CID 102223207
3-(1-benzyl-4-methylimidazol-2-yl)phenol
CID 83971137
N-(3-hydroxyphenyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473579
3-(1,7-dimethylbenzimidazol-2-yl)phenol
CID 81455442
3-(1,3-dimethylpyrazol-4-yl)phenol
CID 130752122

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-hydroxyphenyl)-4,5-diphenylimidazol-1-yl]ethanone?
The IUPAC name of 1-[2-(3-hydroxyphenyl)-4,5-diphenylimidazol-1-yl]ethanone (CID 139841121) is 1-[2-(3-hydroxyphenyl)-4,5-diphenylimidazol-1-yl]ethanone.
What is the SMILES notation for 1-[2-(3-hydroxyphenyl)-4,5-diphenylimidazol-1-yl]ethanone?
The canonical SMILES for 1-[2-(3-hydroxyphenyl)-4,5-diphenylimidazol-1-yl]ethanone is CC(=O)n1c(-c2cccc(O)c2)nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1-[2-(3-hydroxyphenyl)-4,5-diphenylimidazol-1-yl]ethanone?
The InChIKey is PHADZKYYOXJJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2/c1-16(26)25-22(18-11-6-3-7-12-18)21(17-9-4-2-5-10-17)24-23(25)19-13-8-14-20(27)15-19/h2-15,27H,1H3.
What are the key properties of 1-[2-(3-hydroxyphenyl)-4,5-diphenylimidazol-1-yl]ethanone?
1-[2-(3-hydroxyphenyl)-4,5-diphenylimidazol-1-yl]ethanone has a molecular weight of 354.41 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-hydroxyphenyl)-4,5-diphenylimidazol-1-yl]ethanone is sourced from PubChem (CID 139841121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).