1-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)-4-sulfanylideneimidazolidin-2-one

C16H11ClN4OS — CID 46181497

IUPAC1-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)-4-sulfanylideneimidazolidin-2-one
SMILESO=C1NC(=S)C(c2ccc(Cl)cc2)N1c1ccc2nc[nH]c2c1
InChIInChI=1S/C16H11ClN4OS/c17-10-3-1-9(2-4-10)14-15(23)20-16(22)21(14)11-5-6-12-13(7-11)19-8-18-12/h1-8,14H,(H,18,19)(H,20,22,23)
InChIKeyXPTXSMOWEGMJQC-UHFFFAOYSA-N
MW342.81 g/mol
LogP3.81
Rot. Bonds2

About 1-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)-4-sulfanylideneimidazolidin-2-one

1-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)-4-sulfanylideneimidazolidin-2-one (PubChem CID 46181497) has the molecular formula C16H11ClN4OS and a molecular weight of 342.81 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)-4-sulfanylideneimidazolidin-2-one.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)-4-sulfanylideneimidazolidin-2-one
PubChem CID46181497
Molecular FormulaC16H11ClN4OS
Molecular Weight342.81 g/mol
Exact Mass342.03
IUPAC Name1-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)-4-sulfanylideneimidazolidin-2-one
SMILESO=C1NC(=S)C(c2ccc(Cl)cc2)N1c1ccc2nc[nH]c2c1
InChIInChI=1S/C16H11ClN4OS/c17-10-3-1-9(2-4-10)14-15(23)20-16(22)21(14)11-5-6-12-13(7-11)19-8-18-12/h1-8,14H,(H,18,19)(H,20,22,23)
InChIKeyXPTXSMOWEGMJQC-UHFFFAOYSA-N
XLogP3.81
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.81
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)-4-sulfanylideneimidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1H-benzimidazol-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-1,3-dihydro-2H-imidazol-2-one
CID 130447905
(4-Chloro-benzyl)-(1-methyl-1H-benzoimidazol-5-yl)-amine
CID 745860
4-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 45488931
N-(4-chlorobenzyl)-1-ethyl-1H-benzimidazol-5-amine
CID 866271
1-(3H-benzimidazol-5-yl)-5-[4-chloro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 46181194
1-(3H-benzimidazol-5-yl)-5-(2-chlorophenyl)imidazolidine-2,4-dione
CID 46181200
1-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)imidazolidine-2,4-dione
CID 46181266
1-(3H-benzimidazol-5-yl)-4-sulfanylidene-5-(2,3,4-trifluorophenyl)imidazolidin-2-one
CID 46181500
1-(3H-benzimidazol-5-yl)-5-(2,3-difluoro-4-methylphenyl)-4-sulfanylideneimidazolidin-2-one
CID 46181501
1-(3H-benzimidazol-5-yl)-5-(4-bromo-2-fluorophenyl)-4-sulfanylideneimidazolidin-2-one
CID 46181574
(S)-1-(1H-1,3-benzodiazol-5-yl)-5-(4-biphenyl)imidazolidin-2-one
CID 58229215
1-(1h-Benzo[d]imidazol-5-yl)-5-(3-chlorophenyl)imidazolidine-2,4-dione
CID 59319275

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)-4-sulfanylideneimidazolidin-2-one?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)-4-sulfanylideneimidazolidin-2-one (CID 46181497) is 1-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)-4-sulfanylideneimidazolidin-2-one.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)-4-sulfanylideneimidazolidin-2-one?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)-4-sulfanylideneimidazolidin-2-one is O=C1NC(=S)C(c2ccc(Cl)cc2)N1c1ccc2nc[nH]c2c1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)-4-sulfanylideneimidazolidin-2-one?
The InChIKey is XPTXSMOWEGMJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4OS/c17-10-3-1-9(2-4-10)14-15(23)20-16(22)21(14)11-5-6-12-13(7-11)19-8-18-12/h1-8,14H,(H,18,19)(H,20,22,23).
What are the key properties of 1-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)-4-sulfanylideneimidazolidin-2-one?
1-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)-4-sulfanylideneimidazolidin-2-one has a molecular weight of 342.81 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)-4-sulfanylideneimidazolidin-2-one is sourced from PubChem (CID 46181497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).