4-benzylidene-5-sulfanylideneimidazolidin-2-one

C10H8N2OS — CID 71365498

IUPAC4-benzylidene-5-sulfanylideneimidazolidin-2-one
SMILESO=C1NC(=S)C(=Cc2ccccc2)N1
InChIInChI=1S/C10H8N2OS/c13-10-11-8(9(14)12-10)6-7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)
InChIKeyHKGTYUWHUMZKIM-UHFFFAOYSA-N
MW204.25 g/mol
LogP1.67
Rot. Bonds1

About 4-benzylidene-5-sulfanylideneimidazolidin-2-one

4-benzylidene-5-sulfanylideneimidazolidin-2-one (PubChem CID 71365498) has the molecular formula C10H8N2OS and a molecular weight of 204.25 g/mol. Its IUPAC name is 4-benzylidene-5-sulfanylideneimidazolidin-2-one.

Molecular Properties

Compound Name4-benzylidene-5-sulfanylideneimidazolidin-2-one
PubChem CID71365498
Molecular FormulaC10H8N2OS
Molecular Weight204.25 g/mol
Exact Mass204.04
IUPAC Name4-benzylidene-5-sulfanylideneimidazolidin-2-one
SMILESO=C1NC(=S)C(=Cc2ccccc2)N1
InChIInChI=1S/C10H8N2OS/c13-10-11-8(9(14)12-10)6-7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)
InChIKeyHKGTYUWHUMZKIM-UHFFFAOYSA-N
XLogP1.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 51.67
H-Bond Donors ≤ 52
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

(5E)-5-benzylideneimidazolidine-2,4-dione;ethane
CID 91247316
(3E)-3-benzylidene-6-sulfanylidenepiperazine-2,5-dione
CID 167946469
(4Z)-4-benzylidene-5-benzyliminoimidazolidin-2-one
CID 135604884
(5Z)-5-[(3-phenylphenyl)methylidene]imidazolidine-2,4-dione
CID 44590759
5-cinnamylideneimidazolidine-2,4-dione
CID 965914
(5Z)-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one
CID 139059666
(5E)-5-[(4-aminophenyl)methylidene]imidazolidine-2,4-dione
CID 18345973
(5Z)-5-[(4-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 697033
(5E)-5-[(4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 727382
5-(pyridin-3-ylmethylidene)imidazolidine-2,4-dione
CID 4532937
2,4,11,13,20,22,29,31-octazapentacyclo[30.4.0.05,10.014,19.023,28]hexatriaconta-1(36),5,7,9,14,16,18,23,25,27,32,34-dodecaene-3,12,21,30-tetrone
CID 10165611
4-benzylidenepyrazolidine-3,5-dione
CID 68539282

Frequently Asked Questions

What is the IUPAC name of 4-benzylidene-5-sulfanylideneimidazolidin-2-one?
The IUPAC name of 4-benzylidene-5-sulfanylideneimidazolidin-2-one (CID 71365498) is 4-benzylidene-5-sulfanylideneimidazolidin-2-one.
What is the SMILES notation for 4-benzylidene-5-sulfanylideneimidazolidin-2-one?
The canonical SMILES for 4-benzylidene-5-sulfanylideneimidazolidin-2-one is O=C1NC(=S)C(=Cc2ccccc2)N1.
What is the InChIKey of 4-benzylidene-5-sulfanylideneimidazolidin-2-one?
The InChIKey is HKGTYUWHUMZKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2OS/c13-10-11-8(9(14)12-10)6-7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14).
What are the key properties of 4-benzylidene-5-sulfanylideneimidazolidin-2-one?
4-benzylidene-5-sulfanylideneimidazolidin-2-one has a molecular weight of 204.25 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylidene-5-sulfanylideneimidazolidin-2-one is sourced from PubChem (CID 71365498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).