1-[[2-[1-(3,4-dichlorophenyl)ethylsulfanyl]phenyl]methyl]imidazole

C18H16Cl2N2S — CID 3011770

IUPAC1-[[2-[1-(3,4-dichlorophenyl)ethylsulfanyl]phenyl]methyl]imidazole
SMILESCC(Sc1ccccc1Cn1ccnc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H16Cl2N2S/c1-13(14-6-7-16(19)17(20)10-14)23-18-5-3-2-4-15(18)11-22-9-8-21-12-22/h2-10,12-13H,11H2,1H3
InChIKeyUMOQTGOLDMUTAH-UHFFFAOYSA-N
MW363.31 g/mol
LogP6.09
Rot. Bonds5

About 1-[[2-[1-(3,4-dichlorophenyl)ethylsulfanyl]phenyl]methyl]imidazole

1-[[2-[1-(3,4-dichlorophenyl)ethylsulfanyl]phenyl]methyl]imidazole (PubChem CID 3011770) has the molecular formula C18H16Cl2N2S and a molecular weight of 363.31 g/mol. Its IUPAC name is 1-[[2-[1-(3,4-dichlorophenyl)ethylsulfanyl]phenyl]methyl]imidazole.

Molecular Properties

Compound Name1-[[2-[1-(3,4-dichlorophenyl)ethylsulfanyl]phenyl]methyl]imidazole
PubChem CID3011770
Molecular FormulaC18H16Cl2N2S
Molecular Weight363.31 g/mol
Exact Mass362.04
IUPAC Name1-[[2-[1-(3,4-dichlorophenyl)ethylsulfanyl]phenyl]methyl]imidazole
SMILESCC(Sc1ccccc1Cn1ccnc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H16Cl2N2S/c1-13(14-6-7-16(19)17(20)10-14)23-18-5-3-2-4-15(18)11-22-9-8-21-12-22/h2-10,12-13H,11H2,1H3
InChIKeyUMOQTGOLDMUTAH-UHFFFAOYSA-N
XLogP6.09
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.31
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-[1-(3,4-dichlorophenyl)ethylsulfanyl]phenyl]methyl]imidazole?
The IUPAC name of 1-[[2-[1-(3,4-dichlorophenyl)ethylsulfanyl]phenyl]methyl]imidazole (CID 3011770) is 1-[[2-[1-(3,4-dichlorophenyl)ethylsulfanyl]phenyl]methyl]imidazole.
What is the SMILES notation for 1-[[2-[1-(3,4-dichlorophenyl)ethylsulfanyl]phenyl]methyl]imidazole?
The canonical SMILES for 1-[[2-[1-(3,4-dichlorophenyl)ethylsulfanyl]phenyl]methyl]imidazole is CC(Sc1ccccc1Cn1ccnc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[[2-[1-(3,4-dichlorophenyl)ethylsulfanyl]phenyl]methyl]imidazole?
The InChIKey is UMOQTGOLDMUTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2S/c1-13(14-6-7-16(19)17(20)10-14)23-18-5-3-2-4-15(18)11-22-9-8-21-12-22/h2-10,12-13H,11H2,1H3.
What are the key properties of 1-[[2-[1-(3,4-dichlorophenyl)ethylsulfanyl]phenyl]methyl]imidazole?
1-[[2-[1-(3,4-dichlorophenyl)ethylsulfanyl]phenyl]methyl]imidazole has a molecular weight of 363.31 g/mol, XLogP of 6.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[1-(3,4-dichlorophenyl)ethylsulfanyl]phenyl]methyl]imidazole is sourced from PubChem (CID 3011770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).