2-amino-4-(3,5-difluorophenyl)-4-methyl-1H-imidazol-5-one

C10H9F2N3O — CID 82996465

IUPAC2-amino-4-(3,5-difluorophenyl)-4-methyl-1H-imidazol-5-one
SMILESCC1(c2cc(F)cc(F)c2)N=C(N)NC1=O
InChIInChI=1S/C10H9F2N3O/c1-10(8(16)14-9(13)15-10)5-2-6(11)4-7(12)3-5/h2-4H,1H3,(H3,13,14,15,16)
InChIKeyNEKRIYFQTCRUSG-UHFFFAOYSA-N
MW225.20 g/mol
LogP0.62
Rot. Bonds1

About 2-amino-4-(3,5-difluorophenyl)-4-methyl-1H-imidazol-5-one

2-amino-4-(3,5-difluorophenyl)-4-methyl-1H-imidazol-5-one (PubChem CID 82996465) has the molecular formula C10H9F2N3O and a molecular weight of 225.20 g/mol. Its IUPAC name is 2-amino-4-(3,5-difluorophenyl)-4-methyl-1H-imidazol-5-one.

Molecular Properties

Compound Name2-amino-4-(3,5-difluorophenyl)-4-methyl-1H-imidazol-5-one
PubChem CID82996465
Molecular FormulaC10H9F2N3O
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name2-amino-4-(3,5-difluorophenyl)-4-methyl-1H-imidazol-5-one
SMILESCC1(c2cc(F)cc(F)c2)N=C(N)NC1=O
InChIInChI=1S/C10H9F2N3O/c1-10(8(16)14-9(13)15-10)5-2-6(11)4-7(12)3-5/h2-4H,1H3,(H3,13,14,15,16)
InChIKeyNEKRIYFQTCRUSG-UHFFFAOYSA-N
XLogP0.62
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Fenamidone metabolite (RPA 412708)
CID 139596762
(2e)-2-Imino-3-Methyl-5,5-Diphenylimidazolidin-4-One
CID 15054176
5,5-Diphenyl Hydantoin Sodium
CID 23679632
2-Amino-3,5-dihydro-5,5-diphenyl-4H-imidazol-4-one
CID 213731
2-amino-4-cyclohexyl-1-methyl-4-phenyl-1H-imidazol-5(4H)-one
CID 16050931
2-Amino-5-(2-cyclohexylethyl)-3-methyl-5-phenylimidazol-4-one
CID 57843806
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
4H-Imidazol-4-one, 2-amino-3-(1,1-dimethylethyl)-3,5-dihydro-5,5-diphenyl-
CID 619507
2-Amino-6-methyl-6-phenyl-5,6-dihydro-3h-pyrimidin-4-one
CID 23730921
2-(methylamino)-5,5-diphenyl-1,5-dihydro-4H-imidazol-4-one
CID 135974495
2-Amino-5-(3,5-difluorophenyl)-3-methyl-5-phenylimidazol-4-one
CID 78320963

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3,5-difluorophenyl)-4-methyl-1H-imidazol-5-one?
The IUPAC name of 2-amino-4-(3,5-difluorophenyl)-4-methyl-1H-imidazol-5-one (CID 82996465) is 2-amino-4-(3,5-difluorophenyl)-4-methyl-1H-imidazol-5-one.
What is the SMILES notation for 2-amino-4-(3,5-difluorophenyl)-4-methyl-1H-imidazol-5-one?
The canonical SMILES for 2-amino-4-(3,5-difluorophenyl)-4-methyl-1H-imidazol-5-one is CC1(c2cc(F)cc(F)c2)N=C(N)NC1=O.
What is the InChIKey of 2-amino-4-(3,5-difluorophenyl)-4-methyl-1H-imidazol-5-one?
The InChIKey is NEKRIYFQTCRUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O/c1-10(8(16)14-9(13)15-10)5-2-6(11)4-7(12)3-5/h2-4H,1H3,(H3,13,14,15,16).
What are the key properties of 2-amino-4-(3,5-difluorophenyl)-4-methyl-1H-imidazol-5-one?
2-amino-4-(3,5-difluorophenyl)-4-methyl-1H-imidazol-5-one has a molecular weight of 225.20 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3,5-difluorophenyl)-4-methyl-1H-imidazol-5-one is sourced from PubChem (CID 82996465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).