(4E)-2-(3-fluorophenyl)-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one

C14H9FN2OS — CID 136893142

IUPAC(4E)-2-(3-fluorophenyl)-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
SMILESO=C1NC(c2cccc(F)c2)=N/C1=C/c1cccs1
InChIInChI=1S/C14H9FN2OS/c15-10-4-1-3-9(7-10)13-16-12(14(18)17-13)8-11-5-2-6-19-11/h1-8H,(H,16,17,18)/b12-8+
InChIKeySDIWXKONLGMBPS-XYOKQWHBSA-N
MW272.30 g/mol
LogP2.80
Rot. Bonds2

About (4E)-2-(3-fluorophenyl)-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one

(4E)-2-(3-fluorophenyl)-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one (PubChem CID 136893142) has the molecular formula C14H9FN2OS and a molecular weight of 272.30 g/mol. Its IUPAC name is (4E)-2-(3-fluorophenyl)-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one.

Molecular Properties

Compound Name(4E)-2-(3-fluorophenyl)-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
PubChem CID136893142
Molecular FormulaC14H9FN2OS
Molecular Weight272.30 g/mol
Exact Mass272.04
IUPAC Name(4E)-2-(3-fluorophenyl)-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
SMILESO=C1NC(c2cccc(F)c2)=N/C1=C/c1cccs1
InChIInChI=1S/C14H9FN2OS/c15-10-4-1-3-9(7-10)13-16-12(14(18)17-13)8-11-5-2-6-19-11/h1-8H,(H,16,17,18)/b12-8+
InChIKeySDIWXKONLGMBPS-XYOKQWHBSA-N
XLogP2.80
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorobenzyl)-5,6-dihydroxy-2-thien-2-ylpyrimidine-4-carboxamide
CID 135520683
N-[(2-fluorophenyl)methyl]-5,6-dihydroxy-2-(2-thienyl)pyrimidine-4-carboxamide
CID 135601904
N-[(3,4-difluorophenyl)methyl]-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 135601918
N-[(3-fluorophenyl)methyl]-5,6-dihydroxy-2-(2-thienyl)pyrimidine-4-carboxamide
CID 135601971
N-[(2,4-difluorophenyl)methyl]-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 135601861
2-[4-(4-fluorophenyl)-6-oxo-1,6-dihydropyrimidin-1-yl]-N-[(thiophen-2-yl)methyl]acetamide
CID 25884644
2-(1-Aminocyclopentyl)-6-(thiophen-2-yl)-3,4-dihydropyrimidin-4-one
CID 135966771
2-(1-aminocyclohexyl)-4-thiophen-2-yl-1H-pyrimidin-6-one
CID 135966772
2-(4-fluorophenyl)-7-(3-thienylcarbonyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one
CID 136112241
(6Z)-5-imino-3-phenyl-6-(thiophen-2-ylmethylidene)-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
CID 1594771
1-[(4-Fluorophenyl)methyl]-3-{[(thiophen-2-yl)methyl]amino}-1,2-dihydropyrazin-2-one
CID 46337618
5-phenyl-3-thiophen-2-yl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 66974800

Frequently Asked Questions

What is the IUPAC name of (4E)-2-(3-fluorophenyl)-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one?
The IUPAC name of (4E)-2-(3-fluorophenyl)-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one (CID 136893142) is (4E)-2-(3-fluorophenyl)-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one.
What is the SMILES notation for (4E)-2-(3-fluorophenyl)-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one?
The canonical SMILES for (4E)-2-(3-fluorophenyl)-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one is O=C1NC(c2cccc(F)c2)=N/C1=C/c1cccs1.
What is the InChIKey of (4E)-2-(3-fluorophenyl)-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one?
The InChIKey is SDIWXKONLGMBPS-XYOKQWHBSA-N. The full InChI is InChI=1S/C14H9FN2OS/c15-10-4-1-3-9(7-10)13-16-12(14(18)17-13)8-11-5-2-6-19-11/h1-8H,(H,16,17,18)/b12-8+.
What are the key properties of (4E)-2-(3-fluorophenyl)-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one?
(4E)-2-(3-fluorophenyl)-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one has a molecular weight of 272.30 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-(3-fluorophenyl)-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one is sourced from PubChem (CID 136893142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).