4,5-bis(2-chlorophenyl)-2-methylsulfanyl-4,5-dihydro-1H-imidazole

C16H14Cl2N2S — CID 68568080

IUPAC4,5-bis(2-chlorophenyl)-2-methylsulfanyl-4,5-dihydro-1H-imidazole
SMILESCSC1=NC(c2ccccc2Cl)C(c2ccccc2Cl)N1
InChIInChI=1S/C16H14Cl2N2S/c1-21-16-19-14(10-6-2-4-8-12(10)17)15(20-16)11-7-3-5-9-13(11)18/h2-9,14-15H,1H3,(H,19,20)
InChIKeyXUFKLDBRKAYSHX-UHFFFAOYSA-N
MW337.28 g/mol
LogP5.10
Rot. Bonds2

About 4,5-bis(2-chlorophenyl)-2-methylsulfanyl-4,5-dihydro-1H-imidazole

4,5-bis(2-chlorophenyl)-2-methylsulfanyl-4,5-dihydro-1H-imidazole (PubChem CID 68568080) has the molecular formula C16H14Cl2N2S and a molecular weight of 337.28 g/mol. Its IUPAC name is 4,5-bis(2-chlorophenyl)-2-methylsulfanyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name4,5-bis(2-chlorophenyl)-2-methylsulfanyl-4,5-dihydro-1H-imidazole
PubChem CID68568080
Molecular FormulaC16H14Cl2N2S
Molecular Weight337.28 g/mol
Exact Mass336.03
IUPAC Name4,5-bis(2-chlorophenyl)-2-methylsulfanyl-4,5-dihydro-1H-imidazole
SMILESCSC1=NC(c2ccccc2Cl)C(c2ccccc2Cl)N1
InChIInChI=1S/C16H14Cl2N2S/c1-21-16-19-14(10-6-2-4-8-12(10)17)15(20-16)11-7-3-5-9-13(11)18/h2-9,14-15H,1H3,(H,19,20)
InChIKeyXUFKLDBRKAYSHX-UHFFFAOYSA-N
XLogP5.10
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.28
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorobenzyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2996926
5-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 44371599
(4R,5S)-2-[2-(2-chlorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 44388794
(4s,5r)-4,5-Bis(4-Chlorophenyl)-2-Methyl-4,5-Dihydro-1h-Imidazole
CID 71816470
N-(2-chlorobenzyl)-5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 935473
(4R,5S)-2-[(2-chlorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 44389006
2-Thiazoline, 2-((o-chlorobenzyl)amino)-
CID 3055295
propyl N'-[(4-chlorophenyl)methyl]-N-cyclohexylcarbamimidothioate
CID 10743562
(4S,5R)-2,4,5-tris(2-chlorophenyl)-4,5-dihydro-1H-imidazole
CID 12139017
(4R,5S)-2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 11257996
4,5-bis(4-chlorophenyl)-2-(2,2,2-trifluoroethylsulfanyl)-4,5-dihydro-1H-imidazole
CID 13116876
4,5-Bis(4-chlorophenyl)-4,5-dihydro-2-(2,2,2-trifluoroethylthio)-1H-imidazole Hydrochloride
CID 13116877

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(2-chlorophenyl)-2-methylsulfanyl-4,5-dihydro-1H-imidazole?
The IUPAC name of 4,5-bis(2-chlorophenyl)-2-methylsulfanyl-4,5-dihydro-1H-imidazole (CID 68568080) is 4,5-bis(2-chlorophenyl)-2-methylsulfanyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 4,5-bis(2-chlorophenyl)-2-methylsulfanyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 4,5-bis(2-chlorophenyl)-2-methylsulfanyl-4,5-dihydro-1H-imidazole is CSC1=NC(c2ccccc2Cl)C(c2ccccc2Cl)N1.
What is the InChIKey of 4,5-bis(2-chlorophenyl)-2-methylsulfanyl-4,5-dihydro-1H-imidazole?
The InChIKey is XUFKLDBRKAYSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2S/c1-21-16-19-14(10-6-2-4-8-12(10)17)15(20-16)11-7-3-5-9-13(11)18/h2-9,14-15H,1H3,(H,19,20).
What are the key properties of 4,5-bis(2-chlorophenyl)-2-methylsulfanyl-4,5-dihydro-1H-imidazole?
4,5-bis(2-chlorophenyl)-2-methylsulfanyl-4,5-dihydro-1H-imidazole has a molecular weight of 337.28 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(2-chlorophenyl)-2-methylsulfanyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 68568080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).