(5E)-5-[[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]methylidene]-3-cyclopropyl-2-sulfanylideneimidazolidin-4-one

C19H17ClN2O3S — CID 19548701

IUPAC(5E)-5-[[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]methylidene]-3-cyclopropyl-2-sulfanylideneimidazolidin-4-one
SMILESCc1cccc(Cl)c1OCc1ccc(/C=C2/NC(=S)N(C3CC3)C2=O)o1
InChIInChI=1S/C19H17ClN2O3S/c1-11-3-2-4-15(20)17(11)24-10-14-8-7-13(25-14)9-16-18(23)22(12-5-6-12)19(26)21-16/h2-4,7-9,12H,5-6,10H2,1H3,(H,21,26)/b16-9+
InChIKeyAIZZLWXXCZIXIK-CXUHLZMHSA-N
MW388.88 g/mol
LogP4.04
Rot. Bonds5

About (5E)-5-[[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]methylidene]-3-cyclopropyl-2-sulfanylideneimidazolidin-4-one

(5E)-5-[[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]methylidene]-3-cyclopropyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 19548701) has the molecular formula C19H17ClN2O3S and a molecular weight of 388.88 g/mol. Its IUPAC name is (5E)-5-[[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]methylidene]-3-cyclopropyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]methylidene]-3-cyclopropyl-2-sulfanylideneimidazolidin-4-one
PubChem CID19548701
Molecular FormulaC19H17ClN2O3S
Molecular Weight388.88 g/mol
Exact Mass388.06
IUPAC Name(5E)-5-[[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]methylidene]-3-cyclopropyl-2-sulfanylideneimidazolidin-4-one
SMILESCc1cccc(Cl)c1OCc1ccc(/C=C2/NC(=S)N(C3CC3)C2=O)o1
InChIInChI=1S/C19H17ClN2O3S/c1-11-3-2-4-15(20)17(11)24-10-14-8-7-13(25-14)9-16-18(23)22(12-5-6-12)19(26)21-16/h2-4,7-9,12H,5-6,10H2,1H3,(H,21,26)/b16-9+
InChIKeyAIZZLWXXCZIXIK-CXUHLZMHSA-N
XLogP4.04
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 54.04
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'}

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Related Compounds

(5E)-5-[[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]methylidene]-3-[(1-ethylpyrazol-4-yl)methyl]-2-sulfanylideneimidazolidin-4-one
CID 19289832
(5E)-3-cyclohexyl-5-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 19547787
(5E)-3-cyclohexyl-5-[[5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 19547771
(5E)-5-[[5-[(3-bromophenoxy)methyl]furan-2-yl]methylidene]-3-cyclohexyl-2-sulfanylideneimidazolidin-4-one
CID 19547756
(5E)-5-[[5-[(3-chloro-2-methylphenoxy)methyl]furan-2-yl]methylidene]-3-(2-methylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 19548025
(5E)-5-[[5-[(3-chloro-2-methylphenoxy)methyl]furan-2-yl]methylidene]-3-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one
CID 19547140
(5E)-3-cyclohexyl-2-sulfanylidene-5-[[5-[[3-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methylidene]imidazolidin-4-one
CID 19547746
(5E)-3-cyclopropyl-5-[[3-[(2,6-dichlorophenoxy)methyl]-4-methoxyphenyl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 19548733
(5E)-5-[[5-[(2-chlorophenoxy)methyl]furan-2-yl]methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 19545992
(5E)-5-[[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 19545983
(5E)-5-[[5-[(3-chloro-2-methylphenoxy)methyl]furan-2-yl]methylidene]-3-(2-ethoxyphenyl)-2-sulfanylideneimidazolidin-4-one
CID 19546679
(5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-cyclohexyl-2-sulfanylideneimidazolidin-4-one
CID 126084199

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]methylidene]-3-cyclopropyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5E)-5-[[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]methylidene]-3-cyclopropyl-2-sulfanylideneimidazolidin-4-one (CID 19548701) is (5E)-5-[[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]methylidene]-3-cyclopropyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5E)-5-[[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]methylidene]-3-cyclopropyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5E)-5-[[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]methylidene]-3-cyclopropyl-2-sulfanylideneimidazolidin-4-one is Cc1cccc(Cl)c1OCc1ccc(/C=C2/NC(=S)N(C3CC3)C2=O)o1.
What is the InChIKey of (5E)-5-[[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]methylidene]-3-cyclopropyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is AIZZLWXXCZIXIK-CXUHLZMHSA-N. The full InChI is InChI=1S/C19H17ClN2O3S/c1-11-3-2-4-15(20)17(11)24-10-14-8-7-13(25-14)9-16-18(23)22(12-5-6-12)19(26)21-16/h2-4,7-9,12H,5-6,10H2,1H3,(H,21,26)/b16-9+.
What are the key properties of (5E)-5-[[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]methylidene]-3-cyclopropyl-2-sulfanylideneimidazolidin-4-one?
(5E)-5-[[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]methylidene]-3-cyclopropyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 388.88 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]methylidene]-3-cyclopropyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 19548701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).