(5Z)-3-cyclohexyl-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one

C24H25FN2O2S — CID 6377348

IUPAC(5Z)-3-cyclohexyl-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one
SMILESCN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C24H25FN2O2S/c1-26-22(23(28)27(24(26)30)20-5-3-2-4-6-20)15-17-9-13-21(14-10-17)29-16-18-7-11-19(25)12-8-18/h7-15,20H,2-6,16H2,1H3/b22-15-
InChIKeyNGOLENVBDYXLQT-JCMHNJIXSA-N
MW424.54 g/mol
LogP5.14
Rot. Bonds5

About (5Z)-3-cyclohexyl-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one

(5Z)-3-cyclohexyl-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 6377348) has the molecular formula C24H25FN2O2S and a molecular weight of 424.54 g/mol. Its IUPAC name is (5Z)-3-cyclohexyl-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-cyclohexyl-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one
PubChem CID6377348
Molecular FormulaC24H25FN2O2S
Molecular Weight424.54 g/mol
Exact Mass424.16
IUPAC Name(5Z)-3-cyclohexyl-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one
SMILESCN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C24H25FN2O2S/c1-26-22(23(28)27(24(26)30)20-5-3-2-4-6-20)15-17-9-13-21(14-10-17)29-16-18-7-11-19(25)12-8-18/h7-15,20H,2-6,16H2,1H3/b22-15-
InChIKeyNGOLENVBDYXLQT-JCMHNJIXSA-N
XLogP5.14
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 55.14
H-Bond Donors ≤ 50
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

(5Z)-5-[[3-chloro-4-[(4-iodophenyl)methoxy]phenyl]methylidene]-3-cyclohexyl-1-methyl-2-sulfanylideneimidazolidin-4-one
CID 126093930
(5Z)-3-cyclohexyl-1-methyl-5-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 126098435
3-cyclohexyl-5-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one
CID 4047467
(5Z)-5-[[3-bromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-cyclohexyl-1-methyl-2-sulfanylideneimidazolidin-4-one
CID 126086070
(5Z)-3-cyclohexyl-5-[[3-ethoxy-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one
CID 126093451
methyl 4-[(Z)-(1-cyclohexyl-3-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]benzoate
CID 126086671
(5Z)-5-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-cyclohexyl-1-methyl-2-sulfanylideneimidazolidin-4-one
CID 126097151
(5Z)-3-cyclohexyl-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one
CID 126082843
(5E)-3-cyclohexyl-5-[(4-phenylmethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 19547690
(5Z)-5-[(3-chloro-4-prop-2-enoxyphenyl)methylidene]-3-cyclohexyl-1-methyl-2-sulfanylideneimidazolidin-4-one
CID 6167247
(5Z)-3-cyclohexyl-5-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one
CID 126091346
(5Z)-3-cyclohexyl-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 124540993

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-cyclohexyl-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-3-cyclohexyl-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one (CID 6377348) is (5Z)-3-cyclohexyl-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-3-cyclohexyl-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-3-cyclohexyl-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one is CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1.
What is the InChIKey of (5Z)-3-cyclohexyl-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is NGOLENVBDYXLQT-JCMHNJIXSA-N. The full InChI is InChI=1S/C24H25FN2O2S/c1-26-22(23(28)27(24(26)30)20-5-3-2-4-6-20)15-17-9-13-21(14-10-17)29-16-18-7-11-19(25)12-8-18/h7-15,20H,2-6,16H2,1H3/b22-15-.
What are the key properties of (5Z)-3-cyclohexyl-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one?
(5Z)-3-cyclohexyl-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 424.54 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-cyclohexyl-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 6377348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).