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

C18H17F2N3O — CID 78320964

IUPAC2-amino-5-(3,5-difluorophenyl)-5-(3,5-dimethylphenyl)-3-methylimidazol-4-one
SMILESCc1cc(C)cc(C2(c3cc(F)cc(F)c3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C18H17F2N3O/c1-10-4-11(2)6-12(5-10)18(16(24)23(3)17(21)22-18)13-7-14(19)9-15(20)8-13/h4-9H,1-3H3,(H2,21,22)
InChIKeyOLKWRTZAQAQQMO-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.61
Rot. Bonds2

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

2-amino-5-(3,5-difluorophenyl)-5-(3,5-dimethylphenyl)-3-methylimidazol-4-one (PubChem CID 78320964) has the molecular formula C18H17F2N3O and a molecular weight of 329.35 g/mol. Its IUPAC name is 2-amino-5-(3,5-difluorophenyl)-5-(3,5-dimethylphenyl)-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(3,5-difluorophenyl)-5-(3,5-dimethylphenyl)-3-methylimidazol-4-one
PubChem CID78320964
Molecular FormulaC18H17F2N3O
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name2-amino-5-(3,5-difluorophenyl)-5-(3,5-dimethylphenyl)-3-methylimidazol-4-one
SMILESCc1cc(C)cc(C2(c3cc(F)cc(F)c3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C18H17F2N3O/c1-10-4-11(2)6-12(5-10)18(16(24)23(3)17(21)22-18)13-7-14(19)9-15(20)8-13/h4-9H,1-3H3,(H2,21,22)
InChIKeyOLKWRTZAQAQQMO-UHFFFAOYSA-N
XLogP2.61
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.61
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-(3,5-dimethylphenyl)-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-(3,5-difluorophenyl)-5-(3,5-dimethylphenyl)-3-methylimidazol-4-one (CID 78320964) is 2-amino-5-(3,5-difluorophenyl)-5-(3,5-dimethylphenyl)-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-(3,5-difluorophenyl)-5-(3,5-dimethylphenyl)-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-(3,5-difluorophenyl)-5-(3,5-dimethylphenyl)-3-methylimidazol-4-one is Cc1cc(C)cc(C2(c3cc(F)cc(F)c3)N=C(N)N(C)C2=O)c1.
What is the InChIKey of 2-amino-5-(3,5-difluorophenyl)-5-(3,5-dimethylphenyl)-3-methylimidazol-4-one?
The InChIKey is OLKWRTZAQAQQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O/c1-10-4-11(2)6-12(5-10)18(16(24)23(3)17(21)22-18)13-7-14(19)9-15(20)8-13/h4-9H,1-3H3,(H2,21,22).
What are the key properties of 2-amino-5-(3,5-difluorophenyl)-5-(3,5-dimethylphenyl)-3-methylimidazol-4-one?
2-amino-5-(3,5-difluorophenyl)-5-(3,5-dimethylphenyl)-3-methylimidazol-4-one has a molecular weight of 329.35 g/mol, XLogP of 2.61, 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-(3,5-dimethylphenyl)-3-methylimidazol-4-one is sourced from PubChem (CID 78320964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).