2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-thiophen-3-ylimidazol-4-one

C19H15FN4OS — CID 56679000

IUPAC2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-thiophen-3-ylimidazol-4-one
SMILESCN1C(=O)C(c2ccsc2)(c2ccc(F)c(-c3cccnc3)c2)N=C1N
InChIInChI=1S/C19H15FN4OS/c1-24-17(25)19(23-18(24)21,14-6-8-26-11-14)13-4-5-16(20)15(9-13)12-3-2-7-22-10-12/h2-11H,1H3,(H2,21,23)
InChIKeySXYPETJOWBBGQK-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.98
Rot. Bonds3

About 2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-thiophen-3-ylimidazol-4-one

2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-thiophen-3-ylimidazol-4-one (PubChem CID 56679000) has the molecular formula C19H15FN4OS and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-thiophen-3-ylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-thiophen-3-ylimidazol-4-one
PubChem CID56679000
Molecular FormulaC19H15FN4OS
Molecular Weight366.42 g/mol
Exact Mass366.10
IUPAC Name2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-thiophen-3-ylimidazol-4-one
SMILESCN1C(=O)C(c2ccsc2)(c2ccc(F)c(-c3cccnc3)c2)N=C1N
InChIInChI=1S/C19H15FN4OS/c1-24-17(25)19(23-18(24)21,14-6-8-26-11-14)13-4-5-16(20)15(9-13)12-3-2-7-22-10-12/h2-11H,1H3,(H2,21,23)
InChIKeySXYPETJOWBBGQK-UHFFFAOYSA-N
XLogP2.98
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

MK-8931
CID 23627211
(5S)-2-amino-5-(2',5'-difluorobiphenyl-3-yl)-3-methyl-5-pyridin-4-yl-3,5-dihydro-4H-imidazol-4-one
CID 46830239
2-{(2e,4ar,7ar)-7a-[4-(3-Cyanophenyl)thiophen-2-Yl]-2-Imino-3-Methyl-4-Oxooctahydro-6h-Pyrrolo[3,4-D]pyrimidin-6-Yl}pyridine-3-Carbonitrile
CID 66557875
(2e,5r)-2-Imino-3-Methyl-5-Phenyl-5-[3-(Pyridin-3-Yl)phenyl]imidazolidin-4-One
CID 70685236
(4aR,7aR)-2-amino-6-(3-fluorobenzoyl)-3-methyl-7a-[4-(5-prop-1-ynyl-3-pyridinyl)thiophen-2-yl]-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
CID 71459034
2-Amino-3-methyl-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
CID 11359820
2-Amino-5-[3-(5-fluoro-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one
CID 11544998
2-Amino-5-(2',5'-difluoro-1,1'-biphenyl-3-yl)-3-methyl-5-pyridin-4-yl-3,5-dihydro-4H-imidazol-4-one
CID 11990754
2-Amino-3-methyl-5-(3-pyridin-3-ylphenyl)-5-thiophen-3-ylimidazol-4-one
CID 15949919
2-amino-1-methyl-4-(pyridin-4-yl)-4-(3-(thiophen-3-yl)phenyl)-1H-imidazol-5(4H)-one
CID 15950518
2-Amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one
CID 15951420
2-Amino-5-[3-(3,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one
CID 15951484

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-thiophen-3-ylimidazol-4-one?
The IUPAC name of 2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-thiophen-3-ylimidazol-4-one (CID 56679000) is 2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-thiophen-3-ylimidazol-4-one.
What is the SMILES notation for 2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-thiophen-3-ylimidazol-4-one?
The canonical SMILES for 2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-thiophen-3-ylimidazol-4-one is CN1C(=O)C(c2ccsc2)(c2ccc(F)c(-c3cccnc3)c2)N=C1N.
What is the InChIKey of 2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-thiophen-3-ylimidazol-4-one?
The InChIKey is SXYPETJOWBBGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4OS/c1-24-17(25)19(23-18(24)21,14-6-8-26-11-14)13-4-5-16(20)15(9-13)12-3-2-7-22-10-12/h2-11H,1H3,(H2,21,23).
What are the key properties of 2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-thiophen-3-ylimidazol-4-one?
2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-thiophen-3-ylimidazol-4-one has a molecular weight of 366.42 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-thiophen-3-ylimidazol-4-one is sourced from PubChem (CID 56679000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).