(4Z)-4-benzylidene-2-[(4-phenyl-2-sulfanylideneimidazolidin-1-yl)amino]-1H-imidazol-5-one

C19H17N5OS — CID 135611095

IUPAC(4Z)-4-benzylidene-2-[(4-phenyl-2-sulfanylideneimidazolidin-1-yl)amino]-1H-imidazol-5-one
SMILESO=C1NC(NN2CC(c3ccccc3)NC2=S)=N/C1=C\c1ccccc1
InChIInChI=1S/C19H17N5OS/c25-17-15(11-13-7-3-1-4-8-13)20-18(22-17)23-24-12-16(21-19(24)26)14-9-5-2-6-10-14/h1-11,16H,12H2,(H,21,26)(H2,20,22,23,25)/b15-11-
InChIKeyMNIRTGSEHYNJBI-PTNGSMBKSA-N
MW363.45 g/mol
LogP1.95
Rot. Bonds3

About (4Z)-4-benzylidene-2-[(4-phenyl-2-sulfanylideneimidazolidin-1-yl)amino]-1H-imidazol-5-one

(4Z)-4-benzylidene-2-[(4-phenyl-2-sulfanylideneimidazolidin-1-yl)amino]-1H-imidazol-5-one (PubChem CID 135611095) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is (4Z)-4-benzylidene-2-[(4-phenyl-2-sulfanylideneimidazolidin-1-yl)amino]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-4-benzylidene-2-[(4-phenyl-2-sulfanylideneimidazolidin-1-yl)amino]-1H-imidazol-5-one
PubChem CID135611095
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC Name(4Z)-4-benzylidene-2-[(4-phenyl-2-sulfanylideneimidazolidin-1-yl)amino]-1H-imidazol-5-one
SMILESO=C1NC(NN2CC(c3ccccc3)NC2=S)=N/C1=C\c1ccccc1
InChIInChI=1S/C19H17N5OS/c25-17-15(11-13-7-3-1-4-8-13)20-18(22-17)23-24-12-16(21-19(24)26)14-9-5-2-6-10-14/h1-11,16H,12H2,(H,21,26)(H2,20,22,23,25)/b15-11-
InChIKeyMNIRTGSEHYNJBI-PTNGSMBKSA-N
XLogP1.95
TPSA68.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 51.95
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-benzylidene-2-[(4-phenyl-2-sulfanylideneimidazolidin-1-yl)amino]-1H-imidazol-5-one?
The IUPAC name of (4Z)-4-benzylidene-2-[(4-phenyl-2-sulfanylideneimidazolidin-1-yl)amino]-1H-imidazol-5-one (CID 135611095) is (4Z)-4-benzylidene-2-[(4-phenyl-2-sulfanylideneimidazolidin-1-yl)amino]-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-4-benzylidene-2-[(4-phenyl-2-sulfanylideneimidazolidin-1-yl)amino]-1H-imidazol-5-one?
The canonical SMILES for (4Z)-4-benzylidene-2-[(4-phenyl-2-sulfanylideneimidazolidin-1-yl)amino]-1H-imidazol-5-one is O=C1NC(NN2CC(c3ccccc3)NC2=S)=N/C1=C\c1ccccc1.
What is the InChIKey of (4Z)-4-benzylidene-2-[(4-phenyl-2-sulfanylideneimidazolidin-1-yl)amino]-1H-imidazol-5-one?
The InChIKey is MNIRTGSEHYNJBI-PTNGSMBKSA-N. The full InChI is InChI=1S/C19H17N5OS/c25-17-15(11-13-7-3-1-4-8-13)20-18(22-17)23-24-12-16(21-19(24)26)14-9-5-2-6-10-14/h1-11,16H,12H2,(H,21,26)(H2,20,22,23,25)/b15-11-.
What are the key properties of (4Z)-4-benzylidene-2-[(4-phenyl-2-sulfanylideneimidazolidin-1-yl)amino]-1H-imidazol-5-one?
(4Z)-4-benzylidene-2-[(4-phenyl-2-sulfanylideneimidazolidin-1-yl)amino]-1H-imidazol-5-one has a molecular weight of 363.45 g/mol, XLogP of 1.95, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-benzylidene-2-[(4-phenyl-2-sulfanylideneimidazolidin-1-yl)amino]-1H-imidazol-5-one is sourced from PubChem (CID 135611095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).