2-amino-5-(3-bromo-5-fluorophenyl)-3-methyl-5-phenylimidazol-4-one

C16H13BrFN3O — CID 59388535

IUPAC2-amino-5-(3-bromo-5-fluorophenyl)-3-methyl-5-phenylimidazol-4-one
SMILESCN1C(=O)C(c2ccccc2)(c2cc(F)cc(Br)c2)N=C1N
InChIInChI=1S/C16H13BrFN3O/c1-21-14(22)16(20-15(21)19,10-5-3-2-4-6-10)11-7-12(17)9-13(18)8-11/h2-9H,1H3,(H2,19,20)
InChIKeyCXTYXVPJFLDCOH-UHFFFAOYSA-N
MW362.20 g/mol
LogP2.62
Rot. Bonds2

About 2-amino-5-(3-bromo-5-fluorophenyl)-3-methyl-5-phenylimidazol-4-one

2-amino-5-(3-bromo-5-fluorophenyl)-3-methyl-5-phenylimidazol-4-one (PubChem CID 59388535) has the molecular formula C16H13BrFN3O and a molecular weight of 362.20 g/mol. Its IUPAC name is 2-amino-5-(3-bromo-5-fluorophenyl)-3-methyl-5-phenylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(3-bromo-5-fluorophenyl)-3-methyl-5-phenylimidazol-4-one
PubChem CID59388535
Molecular FormulaC16H13BrFN3O
Molecular Weight362.20 g/mol
Exact Mass361.02
IUPAC Name2-amino-5-(3-bromo-5-fluorophenyl)-3-methyl-5-phenylimidazol-4-one
SMILESCN1C(=O)C(c2ccccc2)(c2cc(F)cc(Br)c2)N=C1N
InChIInChI=1S/C16H13BrFN3O/c1-21-14(22)16(20-15(21)19,10-5-3-2-4-6-10)11-7-12(17)9-13(18)8-11/h2-9H,1H3,(H2,19,20)
InChIKeyCXTYXVPJFLDCOH-UHFFFAOYSA-N
XLogP2.62
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.20
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2e)-2-Imino-3-Methyl-5,5-Diphenylimidazolidin-4-One
CID 15054176
2-amino-4-cyclohexyl-1-methyl-4-phenyl-1H-imidazol-5(4H)-one
CID 16050931
2-Amino-3-pentyl-5,5-diphenylimidazol-4-one
CID 44530658
2-Amino-5-(2-cyclohexylethyl)-3-methyl-5-phenylimidazol-4-one
CID 57843806
2-Amino-5-[3-(5-fluoro-2-methylphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one
CID 155510649
2-Amino-5-ethyl-5-phenyl-3-(3-phenylpropyl)imidazol-4-one
CID 44530243
2-Amino-3-methyl-5-(3-methylphenyl)-5-phenylimidazol-4-one
CID 70681035
2-Amino-5-(3-fluorophenyl)-3-methyl-5-phenylimidazol-4-one
CID 70683157
2-Amino-5-[3-(4-fluoro-2-methylphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one
CID 155522872
2-Amino-5-[3-(2-fluoro-4-methylphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one
CID 155536581
2-Amino-3-butyl-5,5-diphenylimidazol-4-one
CID 44537035
2-amino-1-ethyl-4,4-diphenyl-1H-imidazol-5(4H)-one
CID 45488103

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-bromo-5-fluorophenyl)-3-methyl-5-phenylimidazol-4-one?
The IUPAC name of 2-amino-5-(3-bromo-5-fluorophenyl)-3-methyl-5-phenylimidazol-4-one (CID 59388535) is 2-amino-5-(3-bromo-5-fluorophenyl)-3-methyl-5-phenylimidazol-4-one.
What is the SMILES notation for 2-amino-5-(3-bromo-5-fluorophenyl)-3-methyl-5-phenylimidazol-4-one?
The canonical SMILES for 2-amino-5-(3-bromo-5-fluorophenyl)-3-methyl-5-phenylimidazol-4-one is CN1C(=O)C(c2ccccc2)(c2cc(F)cc(Br)c2)N=C1N.
What is the InChIKey of 2-amino-5-(3-bromo-5-fluorophenyl)-3-methyl-5-phenylimidazol-4-one?
The InChIKey is CXTYXVPJFLDCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN3O/c1-21-14(22)16(20-15(21)19,10-5-3-2-4-6-10)11-7-12(17)9-13(18)8-11/h2-9H,1H3,(H2,19,20).
What are the key properties of 2-amino-5-(3-bromo-5-fluorophenyl)-3-methyl-5-phenylimidazol-4-one?
2-amino-5-(3-bromo-5-fluorophenyl)-3-methyl-5-phenylimidazol-4-one has a molecular weight of 362.20 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-bromo-5-fluorophenyl)-3-methyl-5-phenylimidazol-4-one is sourced from PubChem (CID 59388535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).