(5Z)-5-[(1-benzylpyrazol-4-yl)methylidene]-3-butyl-2-sulfanylideneimidazolidin-4-one

C18H20N4OS — CID 51110726

IUPAC(5Z)-5-[(1-benzylpyrazol-4-yl)methylidene]-3-butyl-2-sulfanylideneimidazolidin-4-one
SMILESCCCCN1C(=O)/C(=C/c2cnn(Cc3ccccc3)c2)NC1=S
InChIInChI=1S/C18H20N4OS/c1-2-3-9-22-17(23)16(20-18(22)24)10-15-11-19-21(13-15)12-14-7-5-4-6-8-14/h4-8,10-11,13H,2-3,9,12H2,1H3,(H,20,24)/b16-10-
InChIKeyHBLJICASTJMEPR-YBEGLDIGSA-N
MW340.45 g/mol
LogP2.79
Rot. Bonds6

About (5Z)-5-[(1-benzylpyrazol-4-yl)methylidene]-3-butyl-2-sulfanylideneimidazolidin-4-one

(5Z)-5-[(1-benzylpyrazol-4-yl)methylidene]-3-butyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 51110726) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is (5Z)-5-[(1-benzylpyrazol-4-yl)methylidene]-3-butyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(1-benzylpyrazol-4-yl)methylidene]-3-butyl-2-sulfanylideneimidazolidin-4-one
PubChem CID51110726
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name(5Z)-5-[(1-benzylpyrazol-4-yl)methylidene]-3-butyl-2-sulfanylideneimidazolidin-4-one
SMILESCCCCN1C(=O)/C(=C/c2cnn(Cc3ccccc3)c2)NC1=S
InChIInChI=1S/C18H20N4OS/c1-2-3-9-22-17(23)16(20-18(22)24)10-15-11-19-21(13-15)12-14-7-5-4-6-8-14/h4-8,10-11,13H,2-3,9,12H2,1H3,(H,20,24)/b16-10-
InChIKeyHBLJICASTJMEPR-YBEGLDIGSA-N
XLogP2.79
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5Z)-5-[(1-benzylpyrazol-4-yl)methylidene]-3-butyl-2-sulfanylideneimidazolidin-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

Related Compounds

(5E)-5-[(1-benzylpyrazol-4-yl)methylidene]-3-(2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one
CID 37466953
(5E)-3-butyl-5-[(2-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 19545490
(5E)-3-butyl-5-[[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 19545467
5-[(4-phenylmethoxyphenyl)methylidene]-3-propyl-2-sulfanylideneimidazolidin-4-one
CID 4167282
3-butyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one
CID 4766817
(5E)-3-butyl-5-[(2-nitrophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 19545503
(5E)-3-benzyl-5-[(2-ethylpyrazol-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 136712352
(5E)-3-[2-(3,4-diethoxyphenyl)ethyl]-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 19288078
(5Z)-3-butyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
CID 98630929
(5E)-3-[(1-ethylpyrazol-4-yl)methyl]-5-[(3-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 19288335
(5E)-3-[(1-ethylpyrazol-4-yl)methyl]-5-[(2-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 19288359
(5E)-3-cyclohexyl-5-[(1-ethylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 19547716

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(1-benzylpyrazol-4-yl)methylidene]-3-butyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-5-[(1-benzylpyrazol-4-yl)methylidene]-3-butyl-2-sulfanylideneimidazolidin-4-one (CID 51110726) is (5Z)-5-[(1-benzylpyrazol-4-yl)methylidene]-3-butyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(1-benzylpyrazol-4-yl)methylidene]-3-butyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-5-[(1-benzylpyrazol-4-yl)methylidene]-3-butyl-2-sulfanylideneimidazolidin-4-one is CCCCN1C(=O)/C(=C/c2cnn(Cc3ccccc3)c2)NC1=S.
What is the InChIKey of (5Z)-5-[(1-benzylpyrazol-4-yl)methylidene]-3-butyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is HBLJICASTJMEPR-YBEGLDIGSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-2-3-9-22-17(23)16(20-18(22)24)10-15-11-19-21(13-15)12-14-7-5-4-6-8-14/h4-8,10-11,13H,2-3,9,12H2,1H3,(H,20,24)/b16-10-.
What are the key properties of (5Z)-5-[(1-benzylpyrazol-4-yl)methylidene]-3-butyl-2-sulfanylideneimidazolidin-4-one?
(5Z)-5-[(1-benzylpyrazol-4-yl)methylidene]-3-butyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 340.45 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(1-benzylpyrazol-4-yl)methylidene]-3-butyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 51110726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).