4,5-bis(4-chlorophenyl)-1,3-dihydroimidazole-2-thione

C15H10Cl2N2S — CID 4004523

IUPAC4,5-bis(4-chlorophenyl)-1,3-dihydroimidazole-2-thione
SMILESS=c1[nH]c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C15H10Cl2N2S/c16-11-5-1-9(2-6-11)13-14(19-15(20)18-13)10-3-7-12(17)8-4-10/h1-8H,(H2,18,19,20)
InChIKeyJYEPJLSKZAHYCG-UHFFFAOYSA-N
MW321.23 g/mol
LogP5.71
Rot. Bonds2

About 4,5-bis(4-chlorophenyl)-1,3-dihydroimidazole-2-thione

4,5-bis(4-chlorophenyl)-1,3-dihydroimidazole-2-thione (PubChem CID 4004523) has the molecular formula C15H10Cl2N2S and a molecular weight of 321.23 g/mol. Its IUPAC name is 4,5-bis(4-chlorophenyl)-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4,5-bis(4-chlorophenyl)-1,3-dihydroimidazole-2-thione
PubChem CID4004523
Molecular FormulaC15H10Cl2N2S
Molecular Weight321.23 g/mol
Exact Mass319.99
IUPAC Name4,5-bis(4-chlorophenyl)-1,3-dihydroimidazole-2-thione
SMILESS=c1[nH]c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C15H10Cl2N2S/c16-11-5-1-9(2-6-11)13-14(19-15(20)18-13)10-3-7-12(17)8-4-10/h1-8H,(H2,18,19,20)
InChIKeyJYEPJLSKZAHYCG-UHFFFAOYSA-N
XLogP5.71
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.23
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chlorophenyl)-5-(4-methylsulfanylphenyl)-1,3-dihydroimidazole-2-thione
CID 71454322
6-(4-chlorophenyl)-5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one
CID 3579495
1-(4-chlorophenyl)-5,6,7,8-tetrahydro-2H-isoquinoline-3-thione
CID 102974776
5-(4-chlorophenyl)-4-phenyl-3H-1,3-oxazole-2-thione
CID 54410912
4-(4-chlorophenyl)-5-phenyl-3H-1,3-oxazole-2-thione
CID 54471084
1-chloro-4-(4-chlorophenyl)benzene;ruthenium
CID 159976594
8-(4-chlorophenyl)-2-sulfanylidene-3,7-dihydropurin-6-one
CID 21237220
5,7-bis(4-chlorophenyl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one
CID 6199734
6-(4-chlorophenyl)-7-methyl-2-sulfanylidene-1H-quinazolin-4-one
CID 59487927
6-(4-chlorophenyl)-5-methyl-2-sulfanylidene-1H-pyridine-3-carboxylic acid
CID 94288954
5-chloro-2-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile
CID 15010168
azane;1,4-dichlorobenzene
CID 69330361

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-chlorophenyl)-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4,5-bis(4-chlorophenyl)-1,3-dihydroimidazole-2-thione (CID 4004523) is 4,5-bis(4-chlorophenyl)-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4,5-bis(4-chlorophenyl)-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4,5-bis(4-chlorophenyl)-1,3-dihydroimidazole-2-thione is S=c1[nH]c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)[nH]1.
What is the InChIKey of 4,5-bis(4-chlorophenyl)-1,3-dihydroimidazole-2-thione?
The InChIKey is JYEPJLSKZAHYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2S/c16-11-5-1-9(2-6-11)13-14(19-15(20)18-13)10-3-7-12(17)8-4-10/h1-8H,(H2,18,19,20).
What are the key properties of 4,5-bis(4-chlorophenyl)-1,3-dihydroimidazole-2-thione?
4,5-bis(4-chlorophenyl)-1,3-dihydroimidazole-2-thione has a molecular weight of 321.23 g/mol, XLogP of 5.71, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-chlorophenyl)-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 4004523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).