(5Z)-3-(2-fluorophenyl)-5-(naphthalen-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one

C20H13FN2OS — CID 98671229

IUPAC(5Z)-3-(2-fluorophenyl)-5-(naphthalen-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
SMILESO=C1/C(=C/c2ccc3ccccc3c2)NC(=S)N1c1ccccc1F
InChIInChI=1S/C20H13FN2OS/c21-16-7-3-4-8-18(16)23-19(24)17(22-20(23)25)12-13-9-10-14-5-1-2-6-15(14)11-13/h1-12H,(H,22,25)/b17-12-
InChIKeySBGOTNNDMSRUQX-ATVHPVEESA-N
MW348.40 g/mol
LogP4.24
Rot. Bonds2

About (5Z)-3-(2-fluorophenyl)-5-(naphthalen-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one

(5Z)-3-(2-fluorophenyl)-5-(naphthalen-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one (PubChem CID 98671229) has the molecular formula C20H13FN2OS and a molecular weight of 348.40 g/mol. Its IUPAC name is (5Z)-3-(2-fluorophenyl)-5-(naphthalen-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-(2-fluorophenyl)-5-(naphthalen-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
PubChem CID98671229
Molecular FormulaC20H13FN2OS
Molecular Weight348.40 g/mol
Exact Mass348.07
IUPAC Name(5Z)-3-(2-fluorophenyl)-5-(naphthalen-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
SMILESO=C1/C(=C/c2ccc3ccccc3c2)NC(=S)N1c1ccccc1F
InChIInChI=1S/C20H13FN2OS/c21-16-7-3-4-8-18(16)23-19(24)17(22-20(23)25)12-13-9-10-14-5-1-2-6-15(14)11-13/h1-12H,(H,22,25)/b17-12-
InChIKeySBGOTNNDMSRUQX-ATVHPVEESA-N
XLogP4.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.24
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-[(3,4-difluorophenyl)methylidene]-3-(2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one
CID 26494839
(5Z)-5-[(6-methoxynaphthalen-2-yl)methylidene]-3-(2-methylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 24510528
(5E)-3-(2-fluorophenyl)-5-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 98652781
(5E)-5-[(1-benzylpyrazol-4-yl)methylidene]-3-(2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one
CID 37466953
(5Z)-3-(2-fluorophenyl)-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 27718634
(5Z)-3-(2-methylphenyl)-5-[(4-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 6446511
5-[[2-bromo-4-(2-hydroxyethoxy)phenyl]methylidene]-3-(2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one
CID 71943704
(5Z)-5-(2,3-dihydro-1,4-benzodioxin-5-ylmethylidene)-3-(2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one
CID 47061429
(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-1-(2-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 1395340
(5E)-3-(4-chloro-2-methylphenyl)-5-[(4-chlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 29108764
(5Z)-3-(2-chlorophenyl)-5-[(4-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 6447407
(5Z)-5-[(3-chlorophenyl)methylidene]-3-(2-nitrophenyl)-2-sulfanylideneimidazolidin-4-one
CID 6434585

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(2-fluorophenyl)-5-(naphthalen-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-3-(2-fluorophenyl)-5-(naphthalen-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one (CID 98671229) is (5Z)-3-(2-fluorophenyl)-5-(naphthalen-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-3-(2-fluorophenyl)-5-(naphthalen-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-3-(2-fluorophenyl)-5-(naphthalen-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one is O=C1/C(=C/c2ccc3ccccc3c2)NC(=S)N1c1ccccc1F.
What is the InChIKey of (5Z)-3-(2-fluorophenyl)-5-(naphthalen-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is SBGOTNNDMSRUQX-ATVHPVEESA-N. The full InChI is InChI=1S/C20H13FN2OS/c21-16-7-3-4-8-18(16)23-19(24)17(22-20(23)25)12-13-9-10-14-5-1-2-6-15(14)11-13/h1-12H,(H,22,25)/b17-12-.
What are the key properties of (5Z)-3-(2-fluorophenyl)-5-(naphthalen-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one?
(5Z)-3-(2-fluorophenyl)-5-(naphthalen-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 348.40 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(2-fluorophenyl)-5-(naphthalen-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 98671229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).