2-amino-5-(3,5-difluorophenyl)-3-methyl-5-phenylimidazol-4-one

C16H13F2N3O — CID 78320963

IUPAC2-amino-5-(3,5-difluorophenyl)-3-methyl-5-phenylimidazol-4-one
SMILESCN1C(=O)C(c2ccccc2)(c2cc(F)cc(F)c2)N=C1N
InChIInChI=1S/C16H13F2N3O/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)
InChIKeyYCOJVPUXRDIMND-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.00
Rot. Bonds2

About 2-amino-5-(3,5-difluorophenyl)-3-methyl-5-phenylimidazol-4-one

2-amino-5-(3,5-difluorophenyl)-3-methyl-5-phenylimidazol-4-one (PubChem CID 78320963) has the molecular formula C16H13F2N3O and a molecular weight of 301.30 g/mol. Its IUPAC name is 2-amino-5-(3,5-difluorophenyl)-3-methyl-5-phenylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(3,5-difluorophenyl)-3-methyl-5-phenylimidazol-4-one
PubChem CID78320963
Molecular FormulaC16H13F2N3O
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name2-amino-5-(3,5-difluorophenyl)-3-methyl-5-phenylimidazol-4-one
SMILESCN1C(=O)C(c2ccccc2)(c2cc(F)cc(F)c2)N=C1N
InChIInChI=1S/C16H13F2N3O/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)
InChIKeyYCOJVPUXRDIMND-UHFFFAOYSA-N
XLogP2.00
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.00
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)-3-methyl-5-phenylimidazol-4-one?
The IUPAC name of 2-amino-5-(3,5-difluorophenyl)-3-methyl-5-phenylimidazol-4-one (CID 78320963) is 2-amino-5-(3,5-difluorophenyl)-3-methyl-5-phenylimidazol-4-one.
What is the SMILES notation for 2-amino-5-(3,5-difluorophenyl)-3-methyl-5-phenylimidazol-4-one?
The canonical SMILES for 2-amino-5-(3,5-difluorophenyl)-3-methyl-5-phenylimidazol-4-one is CN1C(=O)C(c2ccccc2)(c2cc(F)cc(F)c2)N=C1N.
What is the InChIKey of 2-amino-5-(3,5-difluorophenyl)-3-methyl-5-phenylimidazol-4-one?
The InChIKey is YCOJVPUXRDIMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O/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-(3,5-difluorophenyl)-3-methyl-5-phenylimidazol-4-one?
2-amino-5-(3,5-difluorophenyl)-3-methyl-5-phenylimidazol-4-one has a molecular weight of 301.30 g/mol, XLogP of 2.00, 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)-3-methyl-5-phenylimidazol-4-one is sourced from PubChem (CID 78320963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).