2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[4-fluoro-3-(2-fluoroethoxy)phenyl]-3-methylimidazol-4-one

C20H19F4N3O3 — CID 25069565

IUPAC2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[4-fluoro-3-(2-fluoroethoxy)phenyl]-3-methylimidazol-4-one
SMILESCc1cc(C2(c3ccc(F)c(OCCF)c3)N=C(N)N(C)C2=O)ccc1OC(F)F
InChIInChI=1S/C20H19F4N3O3/c1-11-9-12(4-6-15(11)30-18(23)24)20(17(28)27(2)19(25)26-20)13-3-5-14(22)16(10-13)29-8-7-21/h3-6,9-10,18H,7-8H2,1-2H3,(H2,25,26)
InChIKeyGOXOCHIYFQYGFA-UHFFFAOYSA-N
MW425.38 g/mol
LogP3.11
Rot. Bonds7

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

2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[4-fluoro-3-(2-fluoroethoxy)phenyl]-3-methylimidazol-4-one (PubChem CID 25069565) has the molecular formula C20H19F4N3O3 and a molecular weight of 425.38 g/mol. Its IUPAC name is 2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[4-fluoro-3-(2-fluoroethoxy)phenyl]-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[4-fluoro-3-(2-fluoroethoxy)phenyl]-3-methylimidazol-4-one
PubChem CID25069565
Molecular FormulaC20H19F4N3O3
Molecular Weight425.38 g/mol
Exact Mass425.14
IUPAC Name2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[4-fluoro-3-(2-fluoroethoxy)phenyl]-3-methylimidazol-4-one
SMILESCc1cc(C2(c3ccc(F)c(OCCF)c3)N=C(N)N(C)C2=O)ccc1OC(F)F
InChIInChI=1S/C20H19F4N3O3/c1-11-9-12(4-6-15(11)30-18(23)24)20(17(28)27(2)19(25)26-20)13-3-5-14(22)16(10-13)29-8-7-21/h3-6,9-10,18H,7-8H2,1-2H3,(H2,25,26)
InChIKeyGOXOCHIYFQYGFA-UHFFFAOYSA-N
XLogP3.11
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.38
LogP ≤ 53.11
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-[4-fluoro-3-(2-fluoroethoxy)phenyl]-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[4-fluoro-3-(2-fluoroethoxy)phenyl]-3-methylimidazol-4-one (CID 25069565) is 2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[4-fluoro-3-(2-fluoroethoxy)phenyl]-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[4-fluoro-3-(2-fluoroethoxy)phenyl]-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[4-fluoro-3-(2-fluoroethoxy)phenyl]-3-methylimidazol-4-one is Cc1cc(C2(c3ccc(F)c(OCCF)c3)N=C(N)N(C)C2=O)ccc1OC(F)F.
What is the InChIKey of 2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[4-fluoro-3-(2-fluoroethoxy)phenyl]-3-methylimidazol-4-one?
The InChIKey is GOXOCHIYFQYGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F4N3O3/c1-11-9-12(4-6-15(11)30-18(23)24)20(17(28)27(2)19(25)26-20)13-3-5-14(22)16(10-13)29-8-7-21/h3-6,9-10,18H,7-8H2,1-2H3,(H2,25,26).
What are the key properties of 2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[4-fluoro-3-(2-fluoroethoxy)phenyl]-3-methylimidazol-4-one?
2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[4-fluoro-3-(2-fluoroethoxy)phenyl]-3-methylimidazol-4-one has a molecular weight of 425.38 g/mol, XLogP of 3.11, 7 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-[4-fluoro-3-(2-fluoroethoxy)phenyl]-3-methylimidazol-4-one is sourced from PubChem (CID 25069565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).