2-amino-5-[3-(3,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one

C21H16F2N4O — CID 15951484

IUPAC2-amino-5-[3-(3,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one
SMILESCN1C(=O)C(c2ccncc2)(c2cccc(-c3cc(F)cc(F)c3)c2)N=C1N
InChIInChI=1S/C21H16F2N4O/c1-27-19(28)21(26-20(27)24,15-5-7-25-8-6-15)16-4-2-3-13(9-16)14-10-17(22)12-18(23)11-14/h2-12H,1H3,(H2,24,26)
InChIKeyAYXHXAPMJNZSFH-UHFFFAOYSA-N
MW378.38 g/mol
LogP3.06
Rot. Bonds3

About 2-amino-5-[3-(3,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one

2-amino-5-[3-(3,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one (PubChem CID 15951484) has the molecular formula C21H16F2N4O and a molecular weight of 378.38 g/mol. Its IUPAC name is 2-amino-5-[3-(3,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-(3,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one
PubChem CID15951484
Molecular FormulaC21H16F2N4O
Molecular Weight378.38 g/mol
Exact Mass378.13
IUPAC Name2-amino-5-[3-(3,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one
SMILESCN1C(=O)C(c2ccncc2)(c2cccc(-c3cc(F)cc(F)c3)c2)N=C1N
InChIInChI=1S/C21H16F2N4O/c1-27-19(28)21(26-20(27)24,15-5-7-25-8-6-15)16-4-2-3-13(9-16)14-10-17(22)12-18(23)11-14/h2-12H,1H3,(H2,24,26)
InChIKeyAYXHXAPMJNZSFH-UHFFFAOYSA-N
XLogP3.06
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 53.06
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-(3,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one?
The IUPAC name of 2-amino-5-[3-(3,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one (CID 15951484) is 2-amino-5-[3-(3,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-(3,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one?
The canonical SMILES for 2-amino-5-[3-(3,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one is CN1C(=O)C(c2ccncc2)(c2cccc(-c3cc(F)cc(F)c3)c2)N=C1N.
What is the InChIKey of 2-amino-5-[3-(3,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one?
The InChIKey is AYXHXAPMJNZSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4O/c1-27-19(28)21(26-20(27)24,15-5-7-25-8-6-15)16-4-2-3-13(9-16)14-10-17(22)12-18(23)11-14/h2-12H,1H3,(H2,24,26).
What are the key properties of 2-amino-5-[3-(3,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one?
2-amino-5-[3-(3,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one has a molecular weight of 378.38 g/mol, XLogP of 3.06, 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-(3,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one is sourced from PubChem (CID 15951484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).