(5Z)-3-methyl-5-[(2-phenylmethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

C18H16N2O2S — CID 5415536

IUPAC(5Z)-3-methyl-5-[(2-phenylmethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESCN1C(=O)/C(=C/c2ccccc2OCc2ccccc2)NC1=S
InChIInChI=1S/C18H16N2O2S/c1-20-17(21)15(19-18(20)23)11-14-9-5-6-10-16(14)22-12-13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H,19,23)/b15-11-
InChIKeyDMLZQEHFWJWLFS-PTNGSMBKSA-N
MW324.41 g/mol
LogP2.95
Rot. Bonds4

About (5Z)-3-methyl-5-[(2-phenylmethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

(5Z)-3-methyl-5-[(2-phenylmethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one (PubChem CID 5415536) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is (5Z)-3-methyl-5-[(2-phenylmethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-methyl-5-[(2-phenylmethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
PubChem CID5415536
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name(5Z)-3-methyl-5-[(2-phenylmethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESCN1C(=O)/C(=C/c2ccccc2OCc2ccccc2)NC1=S
InChIInChI=1S/C18H16N2O2S/c1-20-17(21)15(19-18(20)23)11-14-9-5-6-10-16(14)22-12-13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H,19,23)/b15-11-
InChIKeyDMLZQEHFWJWLFS-PTNGSMBKSA-N
XLogP2.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(5E)-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 872368
5-{4-[(3-Fluorobenzyl)oxy]benzylidene}-3-methyl-2-thioxo-4-imidazolidinone
CID 5415547
Ethyl {4-[(1-ethyl-5-oxo-2-thioxo-4-imidazolidinylidene)methyl]phenoxy}acetate
CID 5663303
(5Z)-5-[[4-(2-cyclohexylethoxy)phenyl]methylidene]imidazolidine-2,4-dione
CID 46233607
(5Z)-5-[(2E)-3-(4-methoxyphenyl)prop-2-enylidene]-2-thioxoimidazolidin-4-one
CID 2057001
5-{2-[(4-Fluorobenzyl)oxy]benzylidene}-1,3-dimethyl-2-thioxo-4-imidazolidinone
CID 2179287
5-{2-[(3-Fluorobenzyl)oxy]benzylidene}-1,3-dimethyl-2-thioxoimidazolidin-4-one
CID 5431170
(5Z)-5-{4-[(2-fluorobenzyl)oxy]-3-methoxybenzylidene}-3-methyl-2-thioxoimidazolidin-4-one
CID 5433603
4-({2-[(Z)-(5-oxo-1-propyl-2-thioxoimidazolidin-4-ylidene)methyl]phenoxy}methyl)benzoic acid
CID 5503269
(5Z)-5-{4-[(3-fluorobenzyl)oxy]-3-methoxybenzylidene}-3-methyl-2-thioxoimidazolidin-4-one
CID 5851045
ethyl {4-[(Z)-(5-oxo-1-propyl-2-thioxoimidazolidin-4-ylidene)methyl]phenoxy}acetate
CID 5874829
5-(2-Methoxybenzylidene)-3-(tetrahydro-2-furanylmethyl)-2-thioxo-4-imidazolidinone
CID 6523672

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-methyl-5-[(2-phenylmethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-3-methyl-5-[(2-phenylmethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one (CID 5415536) is (5Z)-3-methyl-5-[(2-phenylmethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-3-methyl-5-[(2-phenylmethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-3-methyl-5-[(2-phenylmethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one is CN1C(=O)/C(=C/c2ccccc2OCc2ccccc2)NC1=S.
What is the InChIKey of (5Z)-3-methyl-5-[(2-phenylmethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is DMLZQEHFWJWLFS-PTNGSMBKSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-20-17(21)15(19-18(20)23)11-14-9-5-6-10-16(14)22-12-13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H,19,23)/b15-11-.
What are the key properties of (5Z)-3-methyl-5-[(2-phenylmethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
(5Z)-3-methyl-5-[(2-phenylmethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 324.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-methyl-5-[(2-phenylmethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 5415536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).