2-amino-3-[(3-hydroxyphenyl)methyl]-5,5-diphenylimidazol-4-one

C22H19N3O2 — CID 145460426

IUPAC2-amino-3-[(3-hydroxyphenyl)methyl]-5,5-diphenylimidazol-4-one
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(O)c1
InChIInChI=1S/C22H19N3O2/c23-21-24-22(17-9-3-1-4-10-17,18-11-5-2-6-12-18)20(27)25(21)15-16-8-7-13-19(26)14-16/h1-14,26H,15H2,(H2,23,24)
InChIKeyLGUADUJJFGJCCY-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.99
Rot. Bonds4

About 2-amino-3-[(3-hydroxyphenyl)methyl]-5,5-diphenylimidazol-4-one

2-amino-3-[(3-hydroxyphenyl)methyl]-5,5-diphenylimidazol-4-one (PubChem CID 145460426) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-amino-3-[(3-hydroxyphenyl)methyl]-5,5-diphenylimidazol-4-one.

Molecular Properties

Compound Name2-amino-3-[(3-hydroxyphenyl)methyl]-5,5-diphenylimidazol-4-one
PubChem CID145460426
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name2-amino-3-[(3-hydroxyphenyl)methyl]-5,5-diphenylimidazol-4-one
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(O)c1
InChIInChI=1S/C22H19N3O2/c23-21-24-22(17-9-3-1-4-10-17,18-11-5-2-6-12-18)20(27)25(21)15-16-8-7-13-19(26)14-16/h1-14,26H,15H2,(H2,23,24)
InChIKeyLGUADUJJFGJCCY-UHFFFAOYSA-N
XLogP2.99
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-[[3-[amino(cyclopropylidene)methyl]phenyl]methyl]-5,5-diphenylimidazol-4-one
CID 89248264
3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]benzonitrile
CID 59387179
N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopropanecarboxamide
CID 59386736
3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-methylpropyl)benzamide
CID 59387439
3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-butan-2-ylbenzamide
CID 59387294
3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-methyl-N-(1-phenylethyl)benzamide
CID 155059056
3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-pyridin-3-ylethyl)benzamide
CID 59388257
methyl 4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoate
CID 59388667
2-amino-3-[[3-(6-fluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]-5,5-diphenylimidazol-4-one
CID 135155854
N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-3-fluorobenzenesulfonamide
CID 59388804
N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]propane-1-sulfonamide
CID 25006056
2-amino-3-[[3-[cyclopropylidene-(3-imidazol-1-ylpropylamino)methyl]phenyl]methyl]-5,5-diphenylimidazol-4-one
CID 89247725

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(3-hydroxyphenyl)methyl]-5,5-diphenylimidazol-4-one?
The IUPAC name of 2-amino-3-[(3-hydroxyphenyl)methyl]-5,5-diphenylimidazol-4-one (CID 145460426) is 2-amino-3-[(3-hydroxyphenyl)methyl]-5,5-diphenylimidazol-4-one.
What is the SMILES notation for 2-amino-3-[(3-hydroxyphenyl)methyl]-5,5-diphenylimidazol-4-one?
The canonical SMILES for 2-amino-3-[(3-hydroxyphenyl)methyl]-5,5-diphenylimidazol-4-one is NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(O)c1.
What is the InChIKey of 2-amino-3-[(3-hydroxyphenyl)methyl]-5,5-diphenylimidazol-4-one?
The InChIKey is LGUADUJJFGJCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c23-21-24-22(17-9-3-1-4-10-17,18-11-5-2-6-12-18)20(27)25(21)15-16-8-7-13-19(26)14-16/h1-14,26H,15H2,(H2,23,24).
What are the key properties of 2-amino-3-[(3-hydroxyphenyl)methyl]-5,5-diphenylimidazol-4-one?
2-amino-3-[(3-hydroxyphenyl)methyl]-5,5-diphenylimidazol-4-one has a molecular weight of 357.41 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(3-hydroxyphenyl)methyl]-5,5-diphenylimidazol-4-one is sourced from PubChem (CID 145460426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).