2-amino-5-[4-(difluoromethoxy)-3-ethylphenyl]-5-[4-fluoro-3-(fluoromethyl)phenyl]-3-methylimidazol-4-one

C20H19F4N3O2 — CID 71032909

IUPAC2-amino-5-[4-(difluoromethoxy)-3-ethylphenyl]-5-[4-fluoro-3-(fluoromethyl)phenyl]-3-methylimidazol-4-one
SMILESCCc1cc(C2(c3ccc(F)c(CF)c3)N=C(N)N(C)C2=O)ccc1OC(F)F
InChIInChI=1S/C20H19F4N3O2/c1-3-11-8-14(5-7-16(11)29-18(23)24)20(17(28)27(2)19(25)26-20)13-4-6-15(22)12(9-13)10-21/h4-9,18H,3,10H2,1-2H3,(H2,25,26)
InChIKeyRRDCIZDXJSGBRY-UHFFFAOYSA-N
MW409.38 g/mol
LogP3.49
Rot. Bonds6

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

2-amino-5-[4-(difluoromethoxy)-3-ethylphenyl]-5-[4-fluoro-3-(fluoromethyl)phenyl]-3-methylimidazol-4-one (PubChem CID 71032909) has the molecular formula C20H19F4N3O2 and a molecular weight of 409.38 g/mol. Its IUPAC name is 2-amino-5-[4-(difluoromethoxy)-3-ethylphenyl]-5-[4-fluoro-3-(fluoromethyl)phenyl]-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[4-(difluoromethoxy)-3-ethylphenyl]-5-[4-fluoro-3-(fluoromethyl)phenyl]-3-methylimidazol-4-one
PubChem CID71032909
Molecular FormulaC20H19F4N3O2
Molecular Weight409.38 g/mol
Exact Mass409.14
IUPAC Name2-amino-5-[4-(difluoromethoxy)-3-ethylphenyl]-5-[4-fluoro-3-(fluoromethyl)phenyl]-3-methylimidazol-4-one
SMILESCCc1cc(C2(c3ccc(F)c(CF)c3)N=C(N)N(C)C2=O)ccc1OC(F)F
InChIInChI=1S/C20H19F4N3O2/c1-3-11-8-14(5-7-16(11)29-18(23)24)20(17(28)27(2)19(25)26-20)13-4-6-15(22)12(9-13)10-21/h4-9,18H,3,10H2,1-2H3,(H2,25,26)
InChIKeyRRDCIZDXJSGBRY-UHFFFAOYSA-N
XLogP3.49
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-(difluoromethoxy)-3-ethylphenyl]-5-[4-fluoro-3-(fluoromethyl)phenyl]-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-[4-(difluoromethoxy)-3-ethylphenyl]-5-[4-fluoro-3-(fluoromethyl)phenyl]-3-methylimidazol-4-one (CID 71032909) is 2-amino-5-[4-(difluoromethoxy)-3-ethylphenyl]-5-[4-fluoro-3-(fluoromethyl)phenyl]-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[4-(difluoromethoxy)-3-ethylphenyl]-5-[4-fluoro-3-(fluoromethyl)phenyl]-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-[4-(difluoromethoxy)-3-ethylphenyl]-5-[4-fluoro-3-(fluoromethyl)phenyl]-3-methylimidazol-4-one is CCc1cc(C2(c3ccc(F)c(CF)c3)N=C(N)N(C)C2=O)ccc1OC(F)F.
What is the InChIKey of 2-amino-5-[4-(difluoromethoxy)-3-ethylphenyl]-5-[4-fluoro-3-(fluoromethyl)phenyl]-3-methylimidazol-4-one?
The InChIKey is RRDCIZDXJSGBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F4N3O2/c1-3-11-8-14(5-7-16(11)29-18(23)24)20(17(28)27(2)19(25)26-20)13-4-6-15(22)12(9-13)10-21/h4-9,18H,3,10H2,1-2H3,(H2,25,26).
What are the key properties of 2-amino-5-[4-(difluoromethoxy)-3-ethylphenyl]-5-[4-fluoro-3-(fluoromethyl)phenyl]-3-methylimidazol-4-one?
2-amino-5-[4-(difluoromethoxy)-3-ethylphenyl]-5-[4-fluoro-3-(fluoromethyl)phenyl]-3-methylimidazol-4-one has a molecular weight of 409.38 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[4-(difluoromethoxy)-3-ethylphenyl]-5-[4-fluoro-3-(fluoromethyl)phenyl]-3-methylimidazol-4-one is sourced from PubChem (CID 71032909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).