1-[2-[(4-chlorophenyl)methylsulfanyl]-2-[4-[(4-chlorophenyl)methylsulfanyl]phenyl]ethyl]imidazole

C25H22Cl2N2S2 — CID 21402330

IUPAC1-[2-[(4-chlorophenyl)methylsulfanyl]-2-[4-[(4-chlorophenyl)methylsulfanyl]phenyl]ethyl]imidazole
SMILESClc1ccc(CSc2ccc(C(Cn3ccnc3)SCc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C25H22Cl2N2S2/c26-22-7-1-19(2-8-22)16-30-24-11-5-21(6-12-24)25(15-29-14-13-28-18-29)31-17-20-3-9-23(27)10-4-20/h1-14,18,25H,15-17H2
InChIKeyIPTHUCZLRMOLDR-UHFFFAOYSA-N
MW485.51 g/mol
LogP8.16
Rot. Bonds9

About 1-[2-[(4-chlorophenyl)methylsulfanyl]-2-[4-[(4-chlorophenyl)methylsulfanyl]phenyl]ethyl]imidazole

1-[2-[(4-chlorophenyl)methylsulfanyl]-2-[4-[(4-chlorophenyl)methylsulfanyl]phenyl]ethyl]imidazole (PubChem CID 21402330) has the molecular formula C25H22Cl2N2S2 and a molecular weight of 485.51 g/mol. Its IUPAC name is 1-[2-[(4-chlorophenyl)methylsulfanyl]-2-[4-[(4-chlorophenyl)methylsulfanyl]phenyl]ethyl]imidazole.

Molecular Properties

Compound Name1-[2-[(4-chlorophenyl)methylsulfanyl]-2-[4-[(4-chlorophenyl)methylsulfanyl]phenyl]ethyl]imidazole
PubChem CID21402330
Molecular FormulaC25H22Cl2N2S2
Molecular Weight485.51 g/mol
Exact Mass484.06
IUPAC Name1-[2-[(4-chlorophenyl)methylsulfanyl]-2-[4-[(4-chlorophenyl)methylsulfanyl]phenyl]ethyl]imidazole
SMILESClc1ccc(CSc2ccc(C(Cn3ccnc3)SCc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C25H22Cl2N2S2/c26-22-7-1-19(2-8-22)16-30-24-11-5-21(6-12-24)25(15-29-14-13-28-18-29)31-17-20-3-9-23(27)10-4-20/h1-14,18,25H,15-17H2
InChIKeyIPTHUCZLRMOLDR-UHFFFAOYSA-N
XLogP8.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.51
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(4-chlorophenyl)methylsulfanyl]-2-(3,4-dichlorophenyl)ethyl]imidazole
CID 21402194
1-[2,2-bis[(4-chlorophenyl)methylsulfanyl]ethyl]imidazole;hydrochloride
CID 13320313
1-[2-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylethyl]imidazole
CID 21402207
bis(1-[2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole);nitric acid
CID 135290396
1-[2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole;1H-imidazole
CID 159216337
1-[2-[(3,4-dichlorophenyl)methylsulfanyl]-2-(4-nitrophenyl)ethyl]imidazole
CID 21402271
1-[2-(3,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]imidazole
CID 21402379
S-[1-(4-chlorophenyl)-2-imidazol-1-ylethyl] octanethioate
CID 21422336
1-[2-(2-tert-butylcyclohexyl)-2-[(4-chlorophenyl)methylsulfanyl]ethyl]imidazole
CID 21415254
[1-(4-chlorophenyl)-2-imidazol-1-ylethyl] 2-(4-chlorophenyl)-2-sulfanylethanedithioate
CID 88823753
1-[2-(4-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethyl]imidazole
CID 21443191
1-[2-[(4-chlorophenyl)methylsulfanyl]-3-hexylsulfanylpropyl]imidazole
CID 54114920

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chlorophenyl)methylsulfanyl]-2-[4-[(4-chlorophenyl)methylsulfanyl]phenyl]ethyl]imidazole?
The IUPAC name of 1-[2-[(4-chlorophenyl)methylsulfanyl]-2-[4-[(4-chlorophenyl)methylsulfanyl]phenyl]ethyl]imidazole (CID 21402330) is 1-[2-[(4-chlorophenyl)methylsulfanyl]-2-[4-[(4-chlorophenyl)methylsulfanyl]phenyl]ethyl]imidazole.
What is the SMILES notation for 1-[2-[(4-chlorophenyl)methylsulfanyl]-2-[4-[(4-chlorophenyl)methylsulfanyl]phenyl]ethyl]imidazole?
The canonical SMILES for 1-[2-[(4-chlorophenyl)methylsulfanyl]-2-[4-[(4-chlorophenyl)methylsulfanyl]phenyl]ethyl]imidazole is Clc1ccc(CSc2ccc(C(Cn3ccnc3)SCc3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of 1-[2-[(4-chlorophenyl)methylsulfanyl]-2-[4-[(4-chlorophenyl)methylsulfanyl]phenyl]ethyl]imidazole?
The InChIKey is IPTHUCZLRMOLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2N2S2/c26-22-7-1-19(2-8-22)16-30-24-11-5-21(6-12-24)25(15-29-14-13-28-18-29)31-17-20-3-9-23(27)10-4-20/h1-14,18,25H,15-17H2.
What are the key properties of 1-[2-[(4-chlorophenyl)methylsulfanyl]-2-[4-[(4-chlorophenyl)methylsulfanyl]phenyl]ethyl]imidazole?
1-[2-[(4-chlorophenyl)methylsulfanyl]-2-[4-[(4-chlorophenyl)methylsulfanyl]phenyl]ethyl]imidazole has a molecular weight of 485.51 g/mol, XLogP of 8.16, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chlorophenyl)methylsulfanyl]-2-[4-[(4-chlorophenyl)methylsulfanyl]phenyl]ethyl]imidazole is sourced from PubChem (CID 21402330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).