2-amino-5-(3,5-difluorophenyl)-5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-one

C17H14F3N3O — CID 78321277

IUPAC2-amino-5-(3,5-difluorophenyl)-5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-one
SMILESCc1cc(C2(c3cc(F)cc(F)c3)N=C(N)N(C)C2=O)ccc1F
InChIInChI=1S/C17H14F3N3O/c1-9-5-10(3-4-14(9)20)17(15(24)23(2)16(21)22-17)11-6-12(18)8-13(19)7-11/h3-8H,1-2H3,(H2,21,22)
InChIKeyBFTQGJBINDSABS-UHFFFAOYSA-N
MW333.31 g/mol
LogP2.44
Rot. Bonds2

About 2-amino-5-(3,5-difluorophenyl)-5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-one

2-amino-5-(3,5-difluorophenyl)-5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-one (PubChem CID 78321277) has the molecular formula C17H14F3N3O and a molecular weight of 333.31 g/mol. Its IUPAC name is 2-amino-5-(3,5-difluorophenyl)-5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(3,5-difluorophenyl)-5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-one
PubChem CID78321277
Molecular FormulaC17H14F3N3O
Molecular Weight333.31 g/mol
Exact Mass333.11
IUPAC Name2-amino-5-(3,5-difluorophenyl)-5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-one
SMILESCc1cc(C2(c3cc(F)cc(F)c3)N=C(N)N(C)C2=O)ccc1F
InChIInChI=1S/C17H14F3N3O/c1-9-5-10(3-4-14(9)20)17(15(24)23(2)16(21)22-17)11-6-12(18)8-13(19)7-11/h3-8H,1-2H3,(H2,21,22)
InChIKeyBFTQGJBINDSABS-UHFFFAOYSA-N
XLogP2.44
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3,5-difluorophenyl)-5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-(3,5-difluorophenyl)-5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-one (CID 78321277) is 2-amino-5-(3,5-difluorophenyl)-5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-(3,5-difluorophenyl)-5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-(3,5-difluorophenyl)-5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-one is Cc1cc(C2(c3cc(F)cc(F)c3)N=C(N)N(C)C2=O)ccc1F.
What is the InChIKey of 2-amino-5-(3,5-difluorophenyl)-5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-one?
The InChIKey is BFTQGJBINDSABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O/c1-9-5-10(3-4-14(9)20)17(15(24)23(2)16(21)22-17)11-6-12(18)8-13(19)7-11/h3-8H,1-2H3,(H2,21,22).
What are the key properties of 2-amino-5-(3,5-difluorophenyl)-5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-one?
2-amino-5-(3,5-difluorophenyl)-5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-one has a molecular weight of 333.31 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3,5-difluorophenyl)-5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-one is sourced from PubChem (CID 78321277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).