2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[3-(furan-2-yl)phenyl]-3-methylimidazol-4-one

C22H19F2N3O3 — CID 138468377

IUPAC2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[3-(furan-2-yl)phenyl]-3-methylimidazol-4-one
SMILESCc1cc(C2(c3cccc(-c4ccco4)c3)N=C(N)N(C)C2=O)ccc1OC(F)F
InChIInChI=1S/C22H19F2N3O3/c1-13-11-16(8-9-17(13)30-20(23)24)22(19(28)27(2)21(25)26-22)15-6-3-5-14(12-15)18-7-4-10-29-18/h3-12,20H,1-2H3,(H2,25,26)
InChIKeyLPIVUHOSNZSGCC-UHFFFAOYSA-N
MW411.41 g/mol
LogP3.89
Rot. Bonds5

About 2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[3-(furan-2-yl)phenyl]-3-methylimidazol-4-one

2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[3-(furan-2-yl)phenyl]-3-methylimidazol-4-one (PubChem CID 138468377) has the molecular formula C22H19F2N3O3 and a molecular weight of 411.41 g/mol. Its IUPAC name is 2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[3-(furan-2-yl)phenyl]-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[3-(furan-2-yl)phenyl]-3-methylimidazol-4-one
PubChem CID138468377
Molecular FormulaC22H19F2N3O3
Molecular Weight411.41 g/mol
Exact Mass411.14
IUPAC Name2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[3-(furan-2-yl)phenyl]-3-methylimidazol-4-one
SMILESCc1cc(C2(c3cccc(-c4ccco4)c3)N=C(N)N(C)C2=O)ccc1OC(F)F
InChIInChI=1S/C22H19F2N3O3/c1-13-11-16(8-9-17(13)30-20(23)24)22(19(28)27(2)21(25)26-22)15-6-3-5-14(12-15)18-7-4-10-29-18/h3-12,20H,1-2H3,(H2,25,26)
InChIKeyLPIVUHOSNZSGCC-UHFFFAOYSA-N
XLogP3.89
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[3-(furan-2-yl)phenyl]-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[3-(furan-2-yl)phenyl]-3-methylimidazol-4-one (CID 138468377) is 2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[3-(furan-2-yl)phenyl]-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[3-(furan-2-yl)phenyl]-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[3-(furan-2-yl)phenyl]-3-methylimidazol-4-one is Cc1cc(C2(c3cccc(-c4ccco4)c3)N=C(N)N(C)C2=O)ccc1OC(F)F.
What is the InChIKey of 2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[3-(furan-2-yl)phenyl]-3-methylimidazol-4-one?
The InChIKey is LPIVUHOSNZSGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O3/c1-13-11-16(8-9-17(13)30-20(23)24)22(19(28)27(2)21(25)26-22)15-6-3-5-14(12-15)18-7-4-10-29-18/h3-12,20H,1-2H3,(H2,25,26).
What are the key properties of 2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[3-(furan-2-yl)phenyl]-3-methylimidazol-4-one?
2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[3-(furan-2-yl)phenyl]-3-methylimidazol-4-one has a molecular weight of 411.41 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[3-(furan-2-yl)phenyl]-3-methylimidazol-4-one is sourced from PubChem (CID 138468377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).