4-(3-acetylphenyl)-2-amino-4-[4-(difluoromethoxy)phenyl]-1H-imidazol-5-one

C18H15F2N3O3 — CID 70822406

IUPAC4-(3-acetylphenyl)-2-amino-4-[4-(difluoromethoxy)phenyl]-1H-imidazol-5-one
SMILESCC(=O)c1cccc(C2(c3ccc(OC(F)F)cc3)N=C(N)NC2=O)c1
InChIInChI=1S/C18H15F2N3O3/c1-10(24)11-3-2-4-13(9-11)18(15(25)22-17(21)23-18)12-5-7-14(8-6-12)26-16(19)20/h2-9,16H,1H3,(H3,21,22,23,25)
InChIKeyGSGDQKYSCJZLLC-UHFFFAOYSA-N
MW359.33 g/mol
LogP2.18
Rot. Bonds5

About 4-(3-acetylphenyl)-2-amino-4-[4-(difluoromethoxy)phenyl]-1H-imidazol-5-one

4-(3-acetylphenyl)-2-amino-4-[4-(difluoromethoxy)phenyl]-1H-imidazol-5-one (PubChem CID 70822406) has the molecular formula C18H15F2N3O3 and a molecular weight of 359.33 g/mol. Its IUPAC name is 4-(3-acetylphenyl)-2-amino-4-[4-(difluoromethoxy)phenyl]-1H-imidazol-5-one.

Molecular Properties

Compound Name4-(3-acetylphenyl)-2-amino-4-[4-(difluoromethoxy)phenyl]-1H-imidazol-5-one
PubChem CID70822406
Molecular FormulaC18H15F2N3O3
Molecular Weight359.33 g/mol
Exact Mass359.11
IUPAC Name4-(3-acetylphenyl)-2-amino-4-[4-(difluoromethoxy)phenyl]-1H-imidazol-5-one
SMILESCC(=O)c1cccc(C2(c3ccc(OC(F)F)cc3)N=C(N)NC2=O)c1
InChIInChI=1S/C18H15F2N3O3/c1-10(24)11-3-2-4-13(9-11)18(15(25)22-17(21)23-18)12-5-7-14(8-6-12)26-16(19)20/h2-9,16H,1H3,(H3,21,22,23,25)
InChIKeyGSGDQKYSCJZLLC-UHFFFAOYSA-N
XLogP2.18
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-acetylphenyl)-2-amino-4-[4-(difluoromethoxy)phenyl]-1H-imidazol-5-one?
The IUPAC name of 4-(3-acetylphenyl)-2-amino-4-[4-(difluoromethoxy)phenyl]-1H-imidazol-5-one (CID 70822406) is 4-(3-acetylphenyl)-2-amino-4-[4-(difluoromethoxy)phenyl]-1H-imidazol-5-one.
What is the SMILES notation for 4-(3-acetylphenyl)-2-amino-4-[4-(difluoromethoxy)phenyl]-1H-imidazol-5-one?
The canonical SMILES for 4-(3-acetylphenyl)-2-amino-4-[4-(difluoromethoxy)phenyl]-1H-imidazol-5-one is CC(=O)c1cccc(C2(c3ccc(OC(F)F)cc3)N=C(N)NC2=O)c1.
What is the InChIKey of 4-(3-acetylphenyl)-2-amino-4-[4-(difluoromethoxy)phenyl]-1H-imidazol-5-one?
The InChIKey is GSGDQKYSCJZLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O3/c1-10(24)11-3-2-4-13(9-11)18(15(25)22-17(21)23-18)12-5-7-14(8-6-12)26-16(19)20/h2-9,16H,1H3,(H3,21,22,23,25).
What are the key properties of 4-(3-acetylphenyl)-2-amino-4-[4-(difluoromethoxy)phenyl]-1H-imidazol-5-one?
4-(3-acetylphenyl)-2-amino-4-[4-(difluoromethoxy)phenyl]-1H-imidazol-5-one has a molecular weight of 359.33 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetylphenyl)-2-amino-4-[4-(difluoromethoxy)phenyl]-1H-imidazol-5-one is sourced from PubChem (CID 70822406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).