(5E)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-(3-methylphenyl)-2-sulfanylideneimidazolidin-4-one

C19H15ClN2OS — CID 19546495

IUPAC(5E)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-(3-methylphenyl)-2-sulfanylideneimidazolidin-4-one
SMILESCc1cccc(N2C(=O)/C(=C\C(Cl)=C\c3ccccc3)NC2=S)c1
InChIInChI=1S/C19H15ClN2OS/c1-13-6-5-9-16(10-13)22-18(23)17(21-19(22)24)12-15(20)11-14-7-3-2-4-8-14/h2-12H,1H3,(H,21,24)/b15-11-,17-12+
InChIKeyGOVKOROWZBNXAF-AJGWWKNYSA-N
MW354.86 g/mol
LogP4.38
Rot. Bonds3

About (5E)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-(3-methylphenyl)-2-sulfanylideneimidazolidin-4-one

(5E)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-(3-methylphenyl)-2-sulfanylideneimidazolidin-4-one (PubChem CID 19546495) has the molecular formula C19H15ClN2OS and a molecular weight of 354.86 g/mol. Its IUPAC name is (5E)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-(3-methylphenyl)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-(3-methylphenyl)-2-sulfanylideneimidazolidin-4-one
PubChem CID19546495
Molecular FormulaC19H15ClN2OS
Molecular Weight354.86 g/mol
Exact Mass354.06
IUPAC Name(5E)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-(3-methylphenyl)-2-sulfanylideneimidazolidin-4-one
SMILESCc1cccc(N2C(=O)/C(=C\C(Cl)=C\c3ccccc3)NC2=S)c1
InChIInChI=1S/C19H15ClN2OS/c1-13-6-5-9-16(10-13)22-18(23)17(21-19(22)24)12-15(20)11-14-7-3-2-4-8-14/h2-12H,1H3,(H,21,24)/b15-11-,17-12+
InChIKeyGOVKOROWZBNXAF-AJGWWKNYSA-N
XLogP4.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.86
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-5-[(3-chlorophenyl)methylidene]-3-(3-methylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 6434612
(5Z)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 18836782
(5E)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-ethyl-2-sulfanylideneimidazolidin-4-one
CID 19545431
(5E)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-cyclohexyl-2-sulfanylideneimidazolidin-4-one
CID 19547848
5-phenacylidene-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 2836335
(5E)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-(furan-2-ylmethyl)-2-sulfanylideneimidazolidin-4-one
CID 19548303
(5E)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-3-(3-methylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 19546445
(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 2133161
(5E)-3-(3,5-dimethylphenyl)-5-[(4-fluorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 9342484
(5E)-5-[[5-[(3,4-dichlorophenoxy)methyl]furan-2-yl]methylidene]-3-(3-methylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 19546371
1-(3-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3619163
5-[(1-methylindol-3-yl)methylidene]-1-(3-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 1410188

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-(3-methylphenyl)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5E)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-(3-methylphenyl)-2-sulfanylideneimidazolidin-4-one (CID 19546495) is (5E)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-(3-methylphenyl)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5E)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-(3-methylphenyl)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5E)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-(3-methylphenyl)-2-sulfanylideneimidazolidin-4-one is Cc1cccc(N2C(=O)/C(=C\C(Cl)=C\c3ccccc3)NC2=S)c1.
What is the InChIKey of (5E)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-(3-methylphenyl)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is GOVKOROWZBNXAF-AJGWWKNYSA-N. The full InChI is InChI=1S/C19H15ClN2OS/c1-13-6-5-9-16(10-13)22-18(23)17(21-19(22)24)12-15(20)11-14-7-3-2-4-8-14/h2-12H,1H3,(H,21,24)/b15-11-,17-12+.
What are the key properties of (5E)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-(3-methylphenyl)-2-sulfanylideneimidazolidin-4-one?
(5E)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-(3-methylphenyl)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 354.86 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-(3-methylphenyl)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 19546495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).