1-(3,5-dichlorophenyl)-4-imino-5-sulfanylidene-3-(2,4,5-trichlorophenyl)imidazolidin-2-one

C15H6Cl5N3OS — CID 134152144

IUPAC1-(3,5-dichlorophenyl)-4-imino-5-sulfanylidene-3-(2,4,5-trichlorophenyl)imidazolidin-2-one
SMILES[H]/N=C1\C(=S)N(c2cc(Cl)cc(Cl)c2)C(=O)N1c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C15H6Cl5N3OS/c16-6-1-7(17)3-8(2-6)22-14(25)13(21)23(15(22)24)12-5-10(19)9(18)4-11(12)20/h1-5,21H/b21-13+
InChIKeyFXUPNZZLLDSLCM-FYJGNVAPSA-N
MW453.57 g/mol
LogP6.70
Rot. Bonds2

About 1-(3,5-dichlorophenyl)-4-imino-5-sulfanylidene-3-(2,4,5-trichlorophenyl)imidazolidin-2-one

1-(3,5-dichlorophenyl)-4-imino-5-sulfanylidene-3-(2,4,5-trichlorophenyl)imidazolidin-2-one (PubChem CID 134152144) has the molecular formula C15H6Cl5N3OS and a molecular weight of 453.57 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-4-imino-5-sulfanylidene-3-(2,4,5-trichlorophenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-4-imino-5-sulfanylidene-3-(2,4,5-trichlorophenyl)imidazolidin-2-one
PubChem CID134152144
Molecular FormulaC15H6Cl5N3OS
Molecular Weight453.57 g/mol
Exact Mass450.87
IUPAC Name1-(3,5-dichlorophenyl)-4-imino-5-sulfanylidene-3-(2,4,5-trichlorophenyl)imidazolidin-2-one
SMILES[H]/N=C1\C(=S)N(c2cc(Cl)cc(Cl)c2)C(=O)N1c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C15H6Cl5N3OS/c16-6-1-7(17)3-8(2-6)22-14(25)13(21)23(15(22)24)12-5-10(19)9(18)4-11(12)20/h1-5,21H/b21-13+
InChIKeyFXUPNZZLLDSLCM-FYJGNVAPSA-N
XLogP6.70
TPSA47.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.57
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-4-imino-5-sulfanylidene-3-(2,4,5-trichlorophenyl)imidazolidin-2-one?
The IUPAC name of 1-(3,5-dichlorophenyl)-4-imino-5-sulfanylidene-3-(2,4,5-trichlorophenyl)imidazolidin-2-one (CID 134152144) is 1-(3,5-dichlorophenyl)-4-imino-5-sulfanylidene-3-(2,4,5-trichlorophenyl)imidazolidin-2-one.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-4-imino-5-sulfanylidene-3-(2,4,5-trichlorophenyl)imidazolidin-2-one?
The canonical SMILES for 1-(3,5-dichlorophenyl)-4-imino-5-sulfanylidene-3-(2,4,5-trichlorophenyl)imidazolidin-2-one is [H]/N=C1\C(=S)N(c2cc(Cl)cc(Cl)c2)C(=O)N1c1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 1-(3,5-dichlorophenyl)-4-imino-5-sulfanylidene-3-(2,4,5-trichlorophenyl)imidazolidin-2-one?
The InChIKey is FXUPNZZLLDSLCM-FYJGNVAPSA-N. The full InChI is InChI=1S/C15H6Cl5N3OS/c16-6-1-7(17)3-8(2-6)22-14(25)13(21)23(15(22)24)12-5-10(19)9(18)4-11(12)20/h1-5,21H/b21-13+.
What are the key properties of 1-(3,5-dichlorophenyl)-4-imino-5-sulfanylidene-3-(2,4,5-trichlorophenyl)imidazolidin-2-one?
1-(3,5-dichlorophenyl)-4-imino-5-sulfanylidene-3-(2,4,5-trichlorophenyl)imidazolidin-2-one has a molecular weight of 453.57 g/mol, XLogP of 6.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-4-imino-5-sulfanylidene-3-(2,4,5-trichlorophenyl)imidazolidin-2-one is sourced from PubChem (CID 134152144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).