(1E)-1-(2-oxo-1,3-diphenyl-5-sulfanylimidazolidin-4-ylidene)-3-phenylurea

C22H18N4O2S — CID 15500443

IUPAC(1E)-1-(2-oxo-1,3-diphenyl-5-sulfanylimidazolidin-4-ylidene)-3-phenylurea
SMILESO=C(/N=C1\C(S)N(c2ccccc2)C(=O)N1c1ccccc1)Nc1ccccc1
InChIInChI=1S/C22H18N4O2S/c27-21(23-16-10-4-1-5-11-16)24-19-20(29)26(18-14-8-3-9-15-18)22(28)25(19)17-12-6-2-7-13-17/h1-15,20,29H,(H,23,27)/b24-19+
InChIKeyGXCMIYYRPMXDGJ-LYBHJNIJSA-N
MW402.48 g/mol
LogP5.02
Rot. Bonds3

About (1E)-1-(2-oxo-1,3-diphenyl-5-sulfanylimidazolidin-4-ylidene)-3-phenylurea

(1E)-1-(2-oxo-1,3-diphenyl-5-sulfanylimidazolidin-4-ylidene)-3-phenylurea (PubChem CID 15500443) has the molecular formula C22H18N4O2S and a molecular weight of 402.48 g/mol. Its IUPAC name is (1E)-1-(2-oxo-1,3-diphenyl-5-sulfanylimidazolidin-4-ylidene)-3-phenylurea.

Molecular Properties

Compound Name(1E)-1-(2-oxo-1,3-diphenyl-5-sulfanylimidazolidin-4-ylidene)-3-phenylurea
PubChem CID15500443
Molecular FormulaC22H18N4O2S
Molecular Weight402.48 g/mol
Exact Mass402.12
IUPAC Name(1E)-1-(2-oxo-1,3-diphenyl-5-sulfanylimidazolidin-4-ylidene)-3-phenylurea
SMILESO=C(/N=C1\C(S)N(c2ccccc2)C(=O)N1c1ccccc1)Nc1ccccc1
InChIInChI=1S/C22H18N4O2S/c27-21(23-16-10-4-1-5-11-16)24-19-20(29)26(18-14-8-3-9-15-18)22(28)25(19)17-12-6-2-7-13-17/h1-15,20,29H,(H,23,27)/b24-19+
InChIKeyGXCMIYYRPMXDGJ-LYBHJNIJSA-N
XLogP5.02
TPSA65.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.48
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(5,5-diethoxy-2-oxo-3-phenylimidazolidin-4-ylidene)-3-phenylurea
CID 71411277
1-(4-hydroxy-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl)-3-phenylurea
CID 564851
(4E)-N,3-bis(4-methylphenyl)-4-[(4-methylphenyl)carbamoylimino]-5-[[(5E)-1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoyl]-5-[(4-methylphenyl)carbamoylimino]-2-oxoimidazolidin-4-yl]trisulfanyl]-2-oxoimidazolidine-1-carboxamide
CID 22834991
(5S)-1,3,5-triphenylimidazolidine-2,4-dione
CID 154708380
phenylcarbamothioic S-acid;hydrofluoride
CID 175225521
(1Z)-1-(1-hydroxy-2-phenyl-4-pyridinylidene)-3-phenylurea
CID 134097848
1-(1-hydroxy-2-methyl-4-pyridinylidene)-3-phenylurea
CID 54070564
2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-phenylacetamide
CID 709521
(1Z)-1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-phenylurea
CID 137225686
4-anilino-2,5-dioxo-N,1-diphenylpyrrole-3-carboxamide
CID 134087977
1-(2-hydroxypyridazin-3-ylidene)-3-phenylurea
CID 54374887
(1E)-1-(4-oxo-1,3-thiazolidin-2-ylidene)-3-phenylurea
CID 135501318

Frequently Asked Questions

What is the IUPAC name of (1E)-1-(2-oxo-1,3-diphenyl-5-sulfanylimidazolidin-4-ylidene)-3-phenylurea?
The IUPAC name of (1E)-1-(2-oxo-1,3-diphenyl-5-sulfanylimidazolidin-4-ylidene)-3-phenylurea (CID 15500443) is (1E)-1-(2-oxo-1,3-diphenyl-5-sulfanylimidazolidin-4-ylidene)-3-phenylurea.
What is the SMILES notation for (1E)-1-(2-oxo-1,3-diphenyl-5-sulfanylimidazolidin-4-ylidene)-3-phenylurea?
The canonical SMILES for (1E)-1-(2-oxo-1,3-diphenyl-5-sulfanylimidazolidin-4-ylidene)-3-phenylurea is O=C(/N=C1\C(S)N(c2ccccc2)C(=O)N1c1ccccc1)Nc1ccccc1.
What is the InChIKey of (1E)-1-(2-oxo-1,3-diphenyl-5-sulfanylimidazolidin-4-ylidene)-3-phenylurea?
The InChIKey is GXCMIYYRPMXDGJ-LYBHJNIJSA-N. The full InChI is InChI=1S/C22H18N4O2S/c27-21(23-16-10-4-1-5-11-16)24-19-20(29)26(18-14-8-3-9-15-18)22(28)25(19)17-12-6-2-7-13-17/h1-15,20,29H,(H,23,27)/b24-19+.
What are the key properties of (1E)-1-(2-oxo-1,3-diphenyl-5-sulfanylimidazolidin-4-ylidene)-3-phenylurea?
(1E)-1-(2-oxo-1,3-diphenyl-5-sulfanylimidazolidin-4-ylidene)-3-phenylurea has a molecular weight of 402.48 g/mol, XLogP of 5.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(2-oxo-1,3-diphenyl-5-sulfanylimidazolidin-4-ylidene)-3-phenylurea is sourced from PubChem (CID 15500443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).