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

C17H14Cl2N2S — CID 21481637

IUPAC1-[2-[1-(3,4-dichlorophenyl)ethylsulfanyl]phenyl]imidazole
SMILESCC(Sc1ccccc1-n1ccnc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H14Cl2N2S/c1-12(13-6-7-14(18)15(19)10-13)22-17-5-3-2-4-16(17)21-9-8-20-11-21/h2-12H,1H3
InChIKeyUDSACDAQHKAGNE-UHFFFAOYSA-N
MW349.29 g/mol
LogP6.03
Rot. Bonds4

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

1-[2-[1-(3,4-dichlorophenyl)ethylsulfanyl]phenyl]imidazole (PubChem CID 21481637) has the molecular formula C17H14Cl2N2S and a molecular weight of 349.29 g/mol. Its IUPAC name is 1-[2-[1-(3,4-dichlorophenyl)ethylsulfanyl]phenyl]imidazole.

Molecular Properties

Compound Name1-[2-[1-(3,4-dichlorophenyl)ethylsulfanyl]phenyl]imidazole
PubChem CID21481637
Molecular FormulaC17H14Cl2N2S
Molecular Weight349.29 g/mol
Exact Mass348.03
IUPAC Name1-[2-[1-(3,4-dichlorophenyl)ethylsulfanyl]phenyl]imidazole
SMILESCC(Sc1ccccc1-n1ccnc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H14Cl2N2S/c1-12(13-6-7-14(18)15(19)10-13)22-17-5-3-2-4-16(17)21-9-8-20-11-21/h2-12H,1H3
InChIKeyUDSACDAQHKAGNE-UHFFFAOYSA-N
XLogP6.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.29
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chlorobenzyl 1-phenyl-1H-imidazol-2-yl sulfide
CID 1477503
4-(3,4-dichlorophenyl)-3-(3-imidazol-1-ylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-imine
CID 4202261
1-[1-[2-[(4-Chlorophenyl)methylsulfanyl]phenyl]vinyl]imidazole
CID 3007440
2-[(4-Chlorophenyl)methylsulfanyl]-1-(2,5-dichlorophenyl)imidazole
CID 2725522
Cyto6F4
CID 2822150
1-[[2-[(3-Chlorophenyl)methylsulfanyl]phenyl]methyl]imidazole
CID 3011766
1-[[2-[(4-Chlorophenyl)methylsulfanyl]phenyl]methyl]imidazole
CID 3011767
1-[[2-[(3,4-Dichlorophenyl)methylsulfanyl]phenyl]methyl]imidazole
CID 3011769
1-[1-[2-[(3,4-Dichlorophenyl)methylsulfanyl]phenyl]butyl]imidazole
CID 3011771
2-(cyclopentylthio)-5-(3,4-dichlorophenyl)-1-(p-tolyl)-1H-imidazole
CID 49671530
1-[[2-[1-(3,4-Dichlorophenyl)ethylsulfanyl]phenyl]methyl]imidazole
CID 3011770
2-((2-Chloro-6-fluorobenzyl)sulfanyl)-1-(2,3-dichlorophenyl)-1H-imidazole
CID 631742

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(3,4-dichlorophenyl)ethylsulfanyl]phenyl]imidazole?
The IUPAC name of 1-[2-[1-(3,4-dichlorophenyl)ethylsulfanyl]phenyl]imidazole (CID 21481637) is 1-[2-[1-(3,4-dichlorophenyl)ethylsulfanyl]phenyl]imidazole.
What is the SMILES notation for 1-[2-[1-(3,4-dichlorophenyl)ethylsulfanyl]phenyl]imidazole?
The canonical SMILES for 1-[2-[1-(3,4-dichlorophenyl)ethylsulfanyl]phenyl]imidazole is CC(Sc1ccccc1-n1ccnc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[2-[1-(3,4-dichlorophenyl)ethylsulfanyl]phenyl]imidazole?
The InChIKey is UDSACDAQHKAGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2S/c1-12(13-6-7-14(18)15(19)10-13)22-17-5-3-2-4-16(17)21-9-8-20-11-21/h2-12H,1H3.
What are the key properties of 1-[2-[1-(3,4-dichlorophenyl)ethylsulfanyl]phenyl]imidazole?
1-[2-[1-(3,4-dichlorophenyl)ethylsulfanyl]phenyl]imidazole has a molecular weight of 349.29 g/mol, XLogP of 6.03, 4 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]imidazole is sourced from PubChem (CID 21481637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).