2-amino-5-(3,4-difluoro-5-thiophen-3-ylphenyl)-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one

C20H15F3N4OS — CID 146622446

IUPAC2-amino-5-(3,4-difluoro-5-thiophen-3-ylphenyl)-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2ccnc(CF)c2)(c2cc(F)c(F)c(-c3ccsc3)c2)N=C1N
InChIInChI=1S/C20H15F3N4OS/c1-27-18(28)20(26-19(27)24,12-2-4-25-14(6-12)9-21)13-7-15(11-3-5-29-10-11)17(23)16(22)8-13/h2-8,10H,9H2,1H3,(H2,24,26)
InChIKeyINYBWJJEYQFTBL-UHFFFAOYSA-N
MW416.43 g/mol
LogP3.59
Rot. Bonds4

About 2-amino-5-(3,4-difluoro-5-thiophen-3-ylphenyl)-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one

2-amino-5-(3,4-difluoro-5-thiophen-3-ylphenyl)-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one (PubChem CID 146622446) has the molecular formula C20H15F3N4OS and a molecular weight of 416.43 g/mol. Its IUPAC name is 2-amino-5-(3,4-difluoro-5-thiophen-3-ylphenyl)-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(3,4-difluoro-5-thiophen-3-ylphenyl)-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one
PubChem CID146622446
Molecular FormulaC20H15F3N4OS
Molecular Weight416.43 g/mol
Exact Mass416.09
IUPAC Name2-amino-5-(3,4-difluoro-5-thiophen-3-ylphenyl)-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2ccnc(CF)c2)(c2cc(F)c(F)c(-c3ccsc3)c2)N=C1N
InChIInChI=1S/C20H15F3N4OS/c1-27-18(28)20(26-19(27)24,12-2-4-25-14(6-12)9-21)13-7-15(11-3-5-29-10-11)17(23)16(22)8-13/h2-8,10H,9H2,1H3,(H2,24,26)
InChIKeyINYBWJJEYQFTBL-UHFFFAOYSA-N
XLogP3.59
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-5-(3,4-difluoro-5-thiophen-3-ylphenyl)-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3,4-difluoro-5-thiophen-3-ylphenyl)-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-(3,4-difluoro-5-thiophen-3-ylphenyl)-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one (CID 146622446) is 2-amino-5-(3,4-difluoro-5-thiophen-3-ylphenyl)-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-(3,4-difluoro-5-thiophen-3-ylphenyl)-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-(3,4-difluoro-5-thiophen-3-ylphenyl)-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one is CN1C(=O)C(c2ccnc(CF)c2)(c2cc(F)c(F)c(-c3ccsc3)c2)N=C1N.
What is the InChIKey of 2-amino-5-(3,4-difluoro-5-thiophen-3-ylphenyl)-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one?
The InChIKey is INYBWJJEYQFTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4OS/c1-27-18(28)20(26-19(27)24,12-2-4-25-14(6-12)9-21)13-7-15(11-3-5-29-10-11)17(23)16(22)8-13/h2-8,10H,9H2,1H3,(H2,24,26).
What are the key properties of 2-amino-5-(3,4-difluoro-5-thiophen-3-ylphenyl)-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one?
2-amino-5-(3,4-difluoro-5-thiophen-3-ylphenyl)-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one has a molecular weight of 416.43 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3,4-difluoro-5-thiophen-3-ylphenyl)-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one is sourced from PubChem (CID 146622446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).