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

C16H11F4N3O2 — CID 162533860

IUPAC2-amino-4-[4-(difluoromethoxy)phenyl]-4-(3,5-difluorophenyl)-1H-imidazol-5-one
SMILESNC1=NC(c2ccc(OC(F)F)cc2)(c2cc(F)cc(F)c2)C(=O)N1
InChIInChI=1S/C16H11F4N3O2/c17-10-5-9(6-11(18)7-10)16(13(24)22-15(21)23-16)8-1-3-12(4-2-8)25-14(19)20/h1-7,14H,(H3,21,22,23,24)
InChIKeyJDDIGJVQSXKOKV-UHFFFAOYSA-N
MW353.28 g/mol
LogP2.25
Rot. Bonds4

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

2-amino-4-[4-(difluoromethoxy)phenyl]-4-(3,5-difluorophenyl)-1H-imidazol-5-one (PubChem CID 162533860) has the molecular formula C16H11F4N3O2 and a molecular weight of 353.28 g/mol. Its IUPAC name is 2-amino-4-[4-(difluoromethoxy)phenyl]-4-(3,5-difluorophenyl)-1H-imidazol-5-one.

Molecular Properties

Compound Name2-amino-4-[4-(difluoromethoxy)phenyl]-4-(3,5-difluorophenyl)-1H-imidazol-5-one
PubChem CID162533860
Molecular FormulaC16H11F4N3O2
Molecular Weight353.28 g/mol
Exact Mass353.08
IUPAC Name2-amino-4-[4-(difluoromethoxy)phenyl]-4-(3,5-difluorophenyl)-1H-imidazol-5-one
SMILESNC1=NC(c2ccc(OC(F)F)cc2)(c2cc(F)cc(F)c2)C(=O)N1
InChIInChI=1S/C16H11F4N3O2/c17-10-5-9(6-11(18)7-10)16(13(24)22-15(21)23-16)8-1-3-12(4-2-8)25-14(19)20/h1-7,14H,(H3,21,22,23,24)
InChIKeyJDDIGJVQSXKOKV-UHFFFAOYSA-N
XLogP2.25
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.28
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-(difluoromethoxy)phenyl]-4-(3,5-difluorophenyl)-1H-imidazol-5-one?
The IUPAC name of 2-amino-4-[4-(difluoromethoxy)phenyl]-4-(3,5-difluorophenyl)-1H-imidazol-5-one (CID 162533860) is 2-amino-4-[4-(difluoromethoxy)phenyl]-4-(3,5-difluorophenyl)-1H-imidazol-5-one.
What is the SMILES notation for 2-amino-4-[4-(difluoromethoxy)phenyl]-4-(3,5-difluorophenyl)-1H-imidazol-5-one?
The canonical SMILES for 2-amino-4-[4-(difluoromethoxy)phenyl]-4-(3,5-difluorophenyl)-1H-imidazol-5-one is NC1=NC(c2ccc(OC(F)F)cc2)(c2cc(F)cc(F)c2)C(=O)N1.
What is the InChIKey of 2-amino-4-[4-(difluoromethoxy)phenyl]-4-(3,5-difluorophenyl)-1H-imidazol-5-one?
The InChIKey is JDDIGJVQSXKOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F4N3O2/c17-10-5-9(6-11(18)7-10)16(13(24)22-15(21)23-16)8-1-3-12(4-2-8)25-14(19)20/h1-7,14H,(H3,21,22,23,24).
What are the key properties of 2-amino-4-[4-(difluoromethoxy)phenyl]-4-(3,5-difluorophenyl)-1H-imidazol-5-one?
2-amino-4-[4-(difluoromethoxy)phenyl]-4-(3,5-difluorophenyl)-1H-imidazol-5-one has a molecular weight of 353.28 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-(difluoromethoxy)phenyl]-4-(3,5-difluorophenyl)-1H-imidazol-5-one is sourced from PubChem (CID 162533860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).