(4Z)-2-ethylsulfanyl-4-[(4-methoxyphenyl)methylidene]-1H-imidazol-5-one

C13H14N2O2S — CID 135401348

IUPAC(4Z)-2-ethylsulfanyl-4-[(4-methoxyphenyl)methylidene]-1H-imidazol-5-one
SMILESCCSC1=N/C(=C\c2ccc(OC)cc2)C(=O)N1
InChIInChI=1S/C13H14N2O2S/c1-3-18-13-14-11(12(16)15-13)8-9-4-6-10(17-2)7-5-9/h4-8H,3H2,1-2H3,(H,14,15,16)/b11-8-
InChIKeyNYOXDTCGTYZOTI-FLIBITNWSA-N
MW262.33 g/mol
LogP2.28
Rot. Bonds3

About (4Z)-2-ethylsulfanyl-4-[(4-methoxyphenyl)methylidene]-1H-imidazol-5-one

(4Z)-2-ethylsulfanyl-4-[(4-methoxyphenyl)methylidene]-1H-imidazol-5-one (PubChem CID 135401348) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is (4Z)-2-ethylsulfanyl-4-[(4-methoxyphenyl)methylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-2-ethylsulfanyl-4-[(4-methoxyphenyl)methylidene]-1H-imidazol-5-one
PubChem CID135401348
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name(4Z)-2-ethylsulfanyl-4-[(4-methoxyphenyl)methylidene]-1H-imidazol-5-one
SMILESCCSC1=N/C(=C\c2ccc(OC)cc2)C(=O)N1
InChIInChI=1S/C13H14N2O2S/c1-3-18-13-14-11(12(16)15-13)8-9-4-6-10(17-2)7-5-9/h4-8H,3H2,1-2H3,(H,14,15,16)/b11-8-
InChIKeyNYOXDTCGTYZOTI-FLIBITNWSA-N
XLogP2.28
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methoxyphenyl)methylthio]-6-methyl-1H-pyrimidin-4-one
CID 135438809
2-Imino-5-(4-methoxy-benzylidene)-thiazolidin-4-one
CID 1368524
6-Trifluoromethyl-2-(4-methoxy-phenylmethyl)thio-4-pyrimidinol
CID 135815067
(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-ethylsulfanyl-1H-imidazol-5-one
CID 136132534
(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 2424915
5-(4-methoxybenzylidene)-3-methyl-2-(methylsulfanyl)-3,5-dihydro-4H-imidazol-4-one
CID 1781841
(4Z)-4-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,5-dione
CID 19079253
4-[(Z)-1,3-benzodioxol-5-ylmethylidene]-2-(methylsulfanyl)-1H-imidazol-5-one
CID 135787042
(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-propylsulfanyl-1H-imidazol-5-one
CID 168295170
4-(3,4-dimethoxybenzylidene)-2-(methylthio)-4,5-dihydro-1H-imidazol-5-one
CID 135445603
(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enamide
CID 924659
(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(3-methoxyphenyl)prop-2-enamide
CID 2654664

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-ethylsulfanyl-4-[(4-methoxyphenyl)methylidene]-1H-imidazol-5-one?
The IUPAC name of (4Z)-2-ethylsulfanyl-4-[(4-methoxyphenyl)methylidene]-1H-imidazol-5-one (CID 135401348) is (4Z)-2-ethylsulfanyl-4-[(4-methoxyphenyl)methylidene]-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-2-ethylsulfanyl-4-[(4-methoxyphenyl)methylidene]-1H-imidazol-5-one?
The canonical SMILES for (4Z)-2-ethylsulfanyl-4-[(4-methoxyphenyl)methylidene]-1H-imidazol-5-one is CCSC1=N/C(=C\c2ccc(OC)cc2)C(=O)N1.
What is the InChIKey of (4Z)-2-ethylsulfanyl-4-[(4-methoxyphenyl)methylidene]-1H-imidazol-5-one?
The InChIKey is NYOXDTCGTYZOTI-FLIBITNWSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-3-18-13-14-11(12(16)15-13)8-9-4-6-10(17-2)7-5-9/h4-8H,3H2,1-2H3,(H,14,15,16)/b11-8-.
What are the key properties of (4Z)-2-ethylsulfanyl-4-[(4-methoxyphenyl)methylidene]-1H-imidazol-5-one?
(4Z)-2-ethylsulfanyl-4-[(4-methoxyphenyl)methylidene]-1H-imidazol-5-one has a molecular weight of 262.33 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-ethylsulfanyl-4-[(4-methoxyphenyl)methylidene]-1H-imidazol-5-one is sourced from PubChem (CID 135401348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).