2-amino-3-benzyl-5-[4-(difluoromethoxy)-3-methylphenyl]-5-(3-fluorophenyl)imidazol-4-one

C24H20F3N3O2 — CID 138468851

IUPAC2-amino-3-benzyl-5-[4-(difluoromethoxy)-3-methylphenyl]-5-(3-fluorophenyl)imidazol-4-one
SMILESCc1cc(C2(c3cccc(F)c3)N=C(N)N(Cc3ccccc3)C2=O)ccc1OC(F)F
InChIInChI=1S/C24H20F3N3O2/c1-15-12-18(10-11-20(15)32-22(26)27)24(17-8-5-9-19(25)13-17)21(31)30(23(28)29-24)14-16-6-3-2-4-7-16/h2-13,22H,14H2,1H3,(H2,28,29)
InChIKeyCHJWXXASSPQQLG-UHFFFAOYSA-N
MW439.44 g/mol
LogP4.34
Rot. Bonds6

About 2-amino-3-benzyl-5-[4-(difluoromethoxy)-3-methylphenyl]-5-(3-fluorophenyl)imidazol-4-one

2-amino-3-benzyl-5-[4-(difluoromethoxy)-3-methylphenyl]-5-(3-fluorophenyl)imidazol-4-one (PubChem CID 138468851) has the molecular formula C24H20F3N3O2 and a molecular weight of 439.44 g/mol. Its IUPAC name is 2-amino-3-benzyl-5-[4-(difluoromethoxy)-3-methylphenyl]-5-(3-fluorophenyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-3-benzyl-5-[4-(difluoromethoxy)-3-methylphenyl]-5-(3-fluorophenyl)imidazol-4-one
PubChem CID138468851
Molecular FormulaC24H20F3N3O2
Molecular Weight439.44 g/mol
Exact Mass439.15
IUPAC Name2-amino-3-benzyl-5-[4-(difluoromethoxy)-3-methylphenyl]-5-(3-fluorophenyl)imidazol-4-one
SMILESCc1cc(C2(c3cccc(F)c3)N=C(N)N(Cc3ccccc3)C2=O)ccc1OC(F)F
InChIInChI=1S/C24H20F3N3O2/c1-15-12-18(10-11-20(15)32-22(26)27)24(17-8-5-9-19(25)13-17)21(31)30(23(28)29-24)14-16-6-3-2-4-7-16/h2-13,22H,14H2,1H3,(H2,28,29)
InChIKeyCHJWXXASSPQQLG-UHFFFAOYSA-N
XLogP4.34
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.44
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-benzyl-5-[4-(difluoromethoxy)-3-methylphenyl]-5-(3-fluorophenyl)imidazol-4-one?
The IUPAC name of 2-amino-3-benzyl-5-[4-(difluoromethoxy)-3-methylphenyl]-5-(3-fluorophenyl)imidazol-4-one (CID 138468851) is 2-amino-3-benzyl-5-[4-(difluoromethoxy)-3-methylphenyl]-5-(3-fluorophenyl)imidazol-4-one.
What is the SMILES notation for 2-amino-3-benzyl-5-[4-(difluoromethoxy)-3-methylphenyl]-5-(3-fluorophenyl)imidazol-4-one?
The canonical SMILES for 2-amino-3-benzyl-5-[4-(difluoromethoxy)-3-methylphenyl]-5-(3-fluorophenyl)imidazol-4-one is Cc1cc(C2(c3cccc(F)c3)N=C(N)N(Cc3ccccc3)C2=O)ccc1OC(F)F.
What is the InChIKey of 2-amino-3-benzyl-5-[4-(difluoromethoxy)-3-methylphenyl]-5-(3-fluorophenyl)imidazol-4-one?
The InChIKey is CHJWXXASSPQQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O2/c1-15-12-18(10-11-20(15)32-22(26)27)24(17-8-5-9-19(25)13-17)21(31)30(23(28)29-24)14-16-6-3-2-4-7-16/h2-13,22H,14H2,1H3,(H2,28,29).
What are the key properties of 2-amino-3-benzyl-5-[4-(difluoromethoxy)-3-methylphenyl]-5-(3-fluorophenyl)imidazol-4-one?
2-amino-3-benzyl-5-[4-(difluoromethoxy)-3-methylphenyl]-5-(3-fluorophenyl)imidazol-4-one has a molecular weight of 439.44 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-benzyl-5-[4-(difluoromethoxy)-3-methylphenyl]-5-(3-fluorophenyl)imidazol-4-one is sourced from PubChem (CID 138468851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).