2-amino-5-(3-chloro-5-thiophen-3-ylphenyl)-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one

C20H15ClF2N4OS — CID 146622433

IUPAC2-amino-5-(3-chloro-5-thiophen-3-ylphenyl)-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2cc(Cl)cc(-c3ccsc3)c2)(c2ccnc(C(F)F)c2)N=C1N
InChIInChI=1S/C20H15ClF2N4OS/c1-27-18(28)20(26-19(27)24,13-2-4-25-16(9-13)17(22)23)14-6-12(7-15(21)8-14)11-3-5-29-10-11/h2-10,17H,1H3,(H2,24,26)
InChIKeyNLLCWFATEZUMBS-UHFFFAOYSA-N
MW432.88 g/mol
LogP4.43
Rot. Bonds4

About 2-amino-5-(3-chloro-5-thiophen-3-ylphenyl)-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one

2-amino-5-(3-chloro-5-thiophen-3-ylphenyl)-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one (PubChem CID 146622433) has the molecular formula C20H15ClF2N4OS and a molecular weight of 432.88 g/mol. Its IUPAC name is 2-amino-5-(3-chloro-5-thiophen-3-ylphenyl)-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(3-chloro-5-thiophen-3-ylphenyl)-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one
PubChem CID146622433
Molecular FormulaC20H15ClF2N4OS
Molecular Weight432.88 g/mol
Exact Mass432.06
IUPAC Name2-amino-5-(3-chloro-5-thiophen-3-ylphenyl)-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2cc(Cl)cc(-c3ccsc3)c2)(c2ccnc(C(F)F)c2)N=C1N
InChIInChI=1S/C20H15ClF2N4OS/c1-27-18(28)20(26-19(27)24,13-2-4-25-16(9-13)17(22)23)14-6-12(7-15(21)8-14)11-3-5-29-10-11/h2-10,17H,1H3,(H2,24,26)
InChIKeyNLLCWFATEZUMBS-UHFFFAOYSA-N
XLogP4.43
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.88
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-5-(3-chloro-5-thiophen-3-ylphenyl)-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one with MolForge

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Related Compounds

2-amino-5-[3-chloro-5-(1H-pyrazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one
CID 146625308
2-amino-5-[3-chloro-5-(2-fluorophenyl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one
CID 153495918
2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3-(4-fluorophenyl)-5-methoxyphenyl]-3-methylimidazol-4-one
CID 153495924
2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-(3-methoxy-5-thiophen-3-ylphenyl)-3-methylimidazol-4-one
CID 146622492
2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[4-fluoro-3-(1H-pyrazol-5-yl)phenyl]-3-methylimidazol-4-one
CID 146622439
2-amino-5-(3,4-difluoro-5-thiophen-3-ylphenyl)-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one
CID 146622446
2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3,4-difluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methylimidazol-4-one
CID 148643237
2-amino-5-[3-chloro-5-(2-methylpyrimidin-5-yl)phenyl]-5-[5-(difluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one
CID 153161398
2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-(2-fluoro-5-thiophen-3-ylphenyl)-3-methylimidazol-4-one
CID 146622967
3-[5-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-2-hydroxyphenyl]benzonitrile
CID 153495964
2-amino-5-[3-chloro-5-(2-fluoro-3-pyridinyl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-chloro-5-(5-fluoro-3-pyridinyl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-chloro-5-(2-methyl-3-pyridinyl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-(3-chloro-5-pyrazin-2-ylphenyl)-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-(3-chloro-5-pyridazin-3-ylphenyl)-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;5-[3-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-chlorophenyl]pyridine-3-carbonitrile
CID 158837546
2-amino-5-[3-chloro-5-(1,3-oxazol-5-yl)phenyl]-5-[5-(difluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one
CID 153495921

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-chloro-5-thiophen-3-ylphenyl)-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-(3-chloro-5-thiophen-3-ylphenyl)-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one (CID 146622433) is 2-amino-5-(3-chloro-5-thiophen-3-ylphenyl)-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-(3-chloro-5-thiophen-3-ylphenyl)-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-(3-chloro-5-thiophen-3-ylphenyl)-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one is CN1C(=O)C(c2cc(Cl)cc(-c3ccsc3)c2)(c2ccnc(C(F)F)c2)N=C1N.
What is the InChIKey of 2-amino-5-(3-chloro-5-thiophen-3-ylphenyl)-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one?
The InChIKey is NLLCWFATEZUMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF2N4OS/c1-27-18(28)20(26-19(27)24,13-2-4-25-16(9-13)17(22)23)14-6-12(7-15(21)8-14)11-3-5-29-10-11/h2-10,17H,1H3,(H2,24,26).
What are the key properties of 2-amino-5-(3-chloro-5-thiophen-3-ylphenyl)-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one?
2-amino-5-(3-chloro-5-thiophen-3-ylphenyl)-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one has a molecular weight of 432.88 g/mol, XLogP of 4.43, 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-chloro-5-thiophen-3-ylphenyl)-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one is sourced from PubChem (CID 146622433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).