1-[(2R)-2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole

C18H15Cl3N2S — CID 6604421

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IUPAC1-[(2R)-2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole
SMILESClc1ccc(CS[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H15Cl3N2S/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2/t18-/m0/s1
InChIKeyAFNXATANNDIXLG-SFHVURJKSA-N
MW397.76 g/mol
LogP6.52
Rot. Bonds6

About 1-[(2R)-2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole

1-[(2R)-2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole (PubChem CID 6604421) has the molecular formula C18H15Cl3N2S and a molecular weight of 397.76 g/mol. Its IUPAC name is 1-[(2R)-2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole.

Molecular Properties

Compound Name1-[(2R)-2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole
PubChem CID6604421
Molecular FormulaC18H15Cl3N2S
Molecular Weight397.76 g/mol
Exact Mass396.00
IUPAC Name1-[(2R)-2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole
SMILESClc1ccc(CS[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H15Cl3N2S/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2/t18-/m0/s1
InChIKeyAFNXATANNDIXLG-SFHVURJKSA-N
XLogP6.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.76
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Luliconazole
CID 3003141
Sulconazole
CID 5318
Butoconazole
CID 47472
Sulconazole Nitrate
CID 65495
Butoconazole Nitrate
CID 47471
Eberconazole
CID 72051
1-[3-(4-Chlorophenyl)propyl]imidazole
CID 9991046
(R)-butaconazole
CID 476416
1-[(4-Chlorophenyl)-phenyl-methyl]imidazole
CID 21564113
1-benzyl-2-[(4-chlorobenzyl)thio]-1H-imidazole
CID 788065
1-[Bis(4-chlorophenyl)methyl]-1H-imidazole
CID 20133543
1-[4-(4-chlorophenyl)butyl]-1H-imidazole
CID 25141505

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole?
The IUPAC name of 1-[(2R)-2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole (CID 6604421) is 1-[(2R)-2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole.
What is the SMILES notation for 1-[(2R)-2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole?
The canonical SMILES for 1-[(2R)-2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole is Clc1ccc(CS[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-[(2R)-2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole?
The InChIKey is AFNXATANNDIXLG-SFHVURJKSA-N. The full InChI is InChI=1S/C18H15Cl3N2S/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2/t18-/m0/s1.
What are the key properties of 1-[(2R)-2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole?
1-[(2R)-2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole has a molecular weight of 397.76 g/mol, XLogP of 6.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole is sourced from PubChem (CID 6604421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).