2-amino-5-[6-(difluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one

C20H16F2N6O — CID 137394438

IUPAC2-amino-5-[6-(difluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
SMILESCN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2cccc(C(F)F)n2)N=C1N
InChIInChI=1S/C20H16F2N6O/c1-28-18(29)20(27-19(28)23,16-7-3-6-15(26-16)17(21)22)14-5-2-4-12(8-14)13-9-24-11-25-10-13/h2-11,17H,1H3,(H2,23,27)
InChIKeyXFKOYQNLGKFJLM-UHFFFAOYSA-N
MW394.39 g/mol
LogP2.51
Rot. Bonds4

About 2-amino-5-[6-(difluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one

2-amino-5-[6-(difluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one (PubChem CID 137394438) has the molecular formula C20H16F2N6O and a molecular weight of 394.39 g/mol. Its IUPAC name is 2-amino-5-[6-(difluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[6-(difluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
PubChem CID137394438
Molecular FormulaC20H16F2N6O
Molecular Weight394.39 g/mol
Exact Mass394.14
IUPAC Name2-amino-5-[6-(difluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
SMILESCN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2cccc(C(F)F)n2)N=C1N
InChIInChI=1S/C20H16F2N6O/c1-28-18(29)20(27-19(28)23,16-7-3-6-15(26-16)17(21)22)14-5-2-4-12(8-14)13-9-24-11-25-10-13/h2-11,17H,1H3,(H2,23,27)
InChIKeyXFKOYQNLGKFJLM-UHFFFAOYSA-N
XLogP2.51
TPSA97.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[6-(difluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The IUPAC name of 2-amino-5-[6-(difluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one (CID 137394438) is 2-amino-5-[6-(difluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one.
What is the SMILES notation for 2-amino-5-[6-(difluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The canonical SMILES for 2-amino-5-[6-(difluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one is CN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2cccc(C(F)F)n2)N=C1N.
What is the InChIKey of 2-amino-5-[6-(difluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The InChIKey is XFKOYQNLGKFJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N6O/c1-28-18(29)20(27-19(28)23,16-7-3-6-15(26-16)17(21)22)14-5-2-4-12(8-14)13-9-24-11-25-10-13/h2-11,17H,1H3,(H2,23,27).
What are the key properties of 2-amino-5-[6-(difluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
2-amino-5-[6-(difluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one has a molecular weight of 394.39 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[6-(difluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one is sourced from PubChem (CID 137394438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).