2-amino-5-[3-(2,5-difluorophenyl)phenyl]-5-(2,6-dimethyl-4-pyridinyl)-3-methylimidazol-4-one

C23H20F2N4O — CID 15950663

IUPAC2-amino-5-[3-(2,5-difluorophenyl)phenyl]-5-(2,6-dimethyl-4-pyridinyl)-3-methylimidazol-4-one
SMILESCc1cc(C2(c3cccc(-c4cc(F)ccc4F)c3)N=C(N)N(C)C2=O)cc(C)n1
InChIInChI=1S/C23H20F2N4O/c1-13-9-17(10-14(2)27-13)23(21(30)29(3)22(26)28-23)16-6-4-5-15(11-16)19-12-18(24)7-8-20(19)25/h4-12H,1-3H3,(H2,26,28)
InChIKeyOWBZZEZKYOYCBK-UHFFFAOYSA-N
MW406.44 g/mol
LogP3.67
Rot. Bonds3

About 2-amino-5-[3-(2,5-difluorophenyl)phenyl]-5-(2,6-dimethyl-4-pyridinyl)-3-methylimidazol-4-one

2-amino-5-[3-(2,5-difluorophenyl)phenyl]-5-(2,6-dimethyl-4-pyridinyl)-3-methylimidazol-4-one (PubChem CID 15950663) has the molecular formula C23H20F2N4O and a molecular weight of 406.44 g/mol. Its IUPAC name is 2-amino-5-[3-(2,5-difluorophenyl)phenyl]-5-(2,6-dimethyl-4-pyridinyl)-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-(2,5-difluorophenyl)phenyl]-5-(2,6-dimethyl-4-pyridinyl)-3-methylimidazol-4-one
PubChem CID15950663
Molecular FormulaC23H20F2N4O
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name2-amino-5-[3-(2,5-difluorophenyl)phenyl]-5-(2,6-dimethyl-4-pyridinyl)-3-methylimidazol-4-one
SMILESCc1cc(C2(c3cccc(-c4cc(F)ccc4F)c3)N=C(N)N(C)C2=O)cc(C)n1
InChIInChI=1S/C23H20F2N4O/c1-13-9-17(10-14(2)27-13)23(21(30)29(3)22(26)28-23)16-6-4-5-15(11-16)19-12-18(24)7-8-20(19)25/h4-12H,1-3H3,(H2,26,28)
InChIKeyOWBZZEZKYOYCBK-UHFFFAOYSA-N
XLogP3.67
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(2,5-difluorophenyl)phenyl]-5-(2,6-dimethyl-4-pyridinyl)-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-[3-(2,5-difluorophenyl)phenyl]-5-(2,6-dimethyl-4-pyridinyl)-3-methylimidazol-4-one (CID 15950663) is 2-amino-5-[3-(2,5-difluorophenyl)phenyl]-5-(2,6-dimethyl-4-pyridinyl)-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-(2,5-difluorophenyl)phenyl]-5-(2,6-dimethyl-4-pyridinyl)-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-[3-(2,5-difluorophenyl)phenyl]-5-(2,6-dimethyl-4-pyridinyl)-3-methylimidazol-4-one is Cc1cc(C2(c3cccc(-c4cc(F)ccc4F)c3)N=C(N)N(C)C2=O)cc(C)n1.
What is the InChIKey of 2-amino-5-[3-(2,5-difluorophenyl)phenyl]-5-(2,6-dimethyl-4-pyridinyl)-3-methylimidazol-4-one?
The InChIKey is OWBZZEZKYOYCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4O/c1-13-9-17(10-14(2)27-13)23(21(30)29(3)22(26)28-23)16-6-4-5-15(11-16)19-12-18(24)7-8-20(19)25/h4-12H,1-3H3,(H2,26,28).
What are the key properties of 2-amino-5-[3-(2,5-difluorophenyl)phenyl]-5-(2,6-dimethyl-4-pyridinyl)-3-methylimidazol-4-one?
2-amino-5-[3-(2,5-difluorophenyl)phenyl]-5-(2,6-dimethyl-4-pyridinyl)-3-methylimidazol-4-one has a molecular weight of 406.44 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(2,5-difluorophenyl)phenyl]-5-(2,6-dimethyl-4-pyridinyl)-3-methylimidazol-4-one is sourced from PubChem (CID 15950663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).