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

C21H17FN4O — CID 15951420

IUPAC2-amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one
SMILESCN1C(=O)C(c2ccncc2)(c2cccc(-c3cccc(F)c3)c2)N=C1N
InChIInChI=1S/C21H17FN4O/c1-26-19(27)21(25-20(26)23,16-8-10-24-11-9-16)17-6-2-4-14(12-17)15-5-3-7-18(22)13-15/h2-13H,1H3,(H2,23,25)
InChIKeyBYOHYWAJTOLKKC-UHFFFAOYSA-N
MW360.39 g/mol
LogP2.92
Rot. Bonds3

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

2-amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one (PubChem CID 15951420) has the molecular formula C21H17FN4O and a molecular weight of 360.39 g/mol. Its IUPAC name is 2-amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one
PubChem CID15951420
Molecular FormulaC21H17FN4O
Molecular Weight360.39 g/mol
Exact Mass360.14
IUPAC Name2-amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one
SMILESCN1C(=O)C(c2ccncc2)(c2cccc(-c3cccc(F)c3)c2)N=C1N
InChIInChI=1S/C21H17FN4O/c1-26-19(27)21(25-20(26)23,16-8-10-24-11-9-16)17-6-2-4-14(12-17)15-5-3-7-18(22)13-15/h2-13H,1H3,(H2,23,25)
InChIKeyBYOHYWAJTOLKKC-UHFFFAOYSA-N
XLogP2.92
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.92
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-fluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one?
The IUPAC name of 2-amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one (CID 15951420) is 2-amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one?
The canonical SMILES for 2-amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one is CN1C(=O)C(c2ccncc2)(c2cccc(-c3cccc(F)c3)c2)N=C1N.
What is the InChIKey of 2-amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one?
The InChIKey is BYOHYWAJTOLKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O/c1-26-19(27)21(25-20(26)23,16-8-10-24-11-9-16)17-6-2-4-14(12-17)15-5-3-7-18(22)13-15/h2-13H,1H3,(H2,23,25).
What are the key properties of 2-amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one?
2-amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one has a molecular weight of 360.39 g/mol, XLogP of 2.92, 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-fluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one is sourced from PubChem (CID 15951420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).