2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3-(4-fluorophenyl)-5-methoxyphenyl]-3-methylimidazol-4-one

C23H19F3N4O2 — CID 153495924

IUPAC2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3-(4-fluorophenyl)-5-methoxyphenyl]-3-methylimidazol-4-one
SMILESCOc1cc(-c2ccc(F)cc2)cc(C2(c3ccnc(C(F)F)c3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C23H19F3N4O2/c1-30-21(31)23(29-22(30)27,15-7-8-28-19(12-15)20(25)26)16-9-14(10-18(11-16)32-2)13-3-5-17(24)6-4-13/h3-12,20H,1-2H3,(H2,27,29)
InChIKeyBZEYNUNABSOUOS-UHFFFAOYSA-N
MW440.43 g/mol
LogP3.86
Rot. Bonds5

About 2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3-(4-fluorophenyl)-5-methoxyphenyl]-3-methylimidazol-4-one

2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3-(4-fluorophenyl)-5-methoxyphenyl]-3-methylimidazol-4-one (PubChem CID 153495924) has the molecular formula C23H19F3N4O2 and a molecular weight of 440.43 g/mol. Its IUPAC name is 2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3-(4-fluorophenyl)-5-methoxyphenyl]-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3-(4-fluorophenyl)-5-methoxyphenyl]-3-methylimidazol-4-one
PubChem CID153495924
Molecular FormulaC23H19F3N4O2
Molecular Weight440.43 g/mol
Exact Mass440.15
IUPAC Name2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3-(4-fluorophenyl)-5-methoxyphenyl]-3-methylimidazol-4-one
SMILESCOc1cc(-c2ccc(F)cc2)cc(C2(c3ccnc(C(F)F)c3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C23H19F3N4O2/c1-30-21(31)23(29-22(30)27,15-7-8-28-19(12-15)20(25)26)16-9-14(10-18(11-16)32-2)13-3-5-17(24)6-4-13/h3-12,20H,1-2H3,(H2,27,29)
InChIKeyBZEYNUNABSOUOS-UHFFFAOYSA-N
XLogP3.86
TPSA80.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3-(4-fluorophenyl)-5-methoxyphenyl]-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3-(4-fluorophenyl)-5-methoxyphenyl]-3-methylimidazol-4-one (CID 153495924) is 2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3-(4-fluorophenyl)-5-methoxyphenyl]-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3-(4-fluorophenyl)-5-methoxyphenyl]-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3-(4-fluorophenyl)-5-methoxyphenyl]-3-methylimidazol-4-one is COc1cc(-c2ccc(F)cc2)cc(C2(c3ccnc(C(F)F)c3)N=C(N)N(C)C2=O)c1.
What is the InChIKey of 2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3-(4-fluorophenyl)-5-methoxyphenyl]-3-methylimidazol-4-one?
The InChIKey is BZEYNUNABSOUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O2/c1-30-21(31)23(29-22(30)27,15-7-8-28-19(12-15)20(25)26)16-9-14(10-18(11-16)32-2)13-3-5-17(24)6-4-13/h3-12,20H,1-2H3,(H2,27,29).
What are the key properties of 2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3-(4-fluorophenyl)-5-methoxyphenyl]-3-methylimidazol-4-one?
2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3-(4-fluorophenyl)-5-methoxyphenyl]-3-methylimidazol-4-one has a molecular weight of 440.43 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3-(4-fluorophenyl)-5-methoxyphenyl]-3-methylimidazol-4-one is sourced from PubChem (CID 153495924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).