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

C16H12Cl2N2S — CID 21481605

IUPAC1-[2-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]imidazole
SMILESClc1ccc(CSc2ccccc2-n2ccnc2)c(Cl)c1
InChIInChI=1S/C16H12Cl2N2S/c17-13-6-5-12(14(18)9-13)10-21-16-4-2-1-3-15(16)20-8-7-19-11-20/h1-9,11H,10H2
InChIKeyRCJOHVBEDAYEKO-UHFFFAOYSA-N
MW335.26 g/mol
LogP5.47
Rot. Bonds4

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

1-[2-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]imidazole (PubChem CID 21481605) has the molecular formula C16H12Cl2N2S and a molecular weight of 335.26 g/mol. Its IUPAC name is 1-[2-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]imidazole.

Molecular Properties

Compound Name1-[2-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]imidazole
PubChem CID21481605
Molecular FormulaC16H12Cl2N2S
Molecular Weight335.26 g/mol
Exact Mass334.01
IUPAC Name1-[2-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]imidazole
SMILESClc1ccc(CSc2ccccc2-n2ccnc2)c(Cl)c1
InChIInChI=1S/C16H12Cl2N2S/c17-13-6-5-12(14(18)9-13)10-21-16-4-2-1-3-15(16)20-8-7-19-11-20/h1-9,11H,10H2
InChIKeyRCJOHVBEDAYEKO-UHFFFAOYSA-N
XLogP5.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.26
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3,4-dichlorophenyl)sulfanylphenyl]imidazole
CID 21481659
1-[2-[1-(3,4-dichlorophenyl)ethylsulfanyl]phenyl]imidazole
CID 21481637
1-[2-(3,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]imidazole
CID 21402379
1-[5-chloro-2-[(3-chlorophenyl)methyl]phenyl]imidazole
CID 152746844
1-[2-(methylsulfanylmethyl)phenyl]imidazole;hydrobromide
CID 162319844
1-[(2,4-dichlorophenyl)methylsulfanyl]-3-imidazol-1-ylpropan-1-ol
CID 20572789
1-[2-(4-chlorophenyl)sulfanylethyl]-3-[(2-imidazol-1-ylphenyl)methyl]urea
CID 60580594
2-[(2-chlorophenyl)methylsulfanyl]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 30388148
1-[1-bromo-2-(4-bromophenyl)-2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]imidazole
CID 70637186
4-(2,4-dichlorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]butanamide
CID 52740396
1-[2-(4-butoxyphenyl)-2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]imidazole
CID 21402393
N-[(5-chloro-2-imidazol-1-ylphenyl)methyl]propan-2-amine
CID 114854134

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]imidazole?
The IUPAC name of 1-[2-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]imidazole (CID 21481605) is 1-[2-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]imidazole.
What is the SMILES notation for 1-[2-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]imidazole?
The canonical SMILES for 1-[2-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]imidazole is Clc1ccc(CSc2ccccc2-n2ccnc2)c(Cl)c1.
What is the InChIKey of 1-[2-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]imidazole?
The InChIKey is RCJOHVBEDAYEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2S/c17-13-6-5-12(14(18)9-13)10-21-16-4-2-1-3-15(16)20-8-7-19-11-20/h1-9,11H,10H2.
What are the key properties of 1-[2-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]imidazole?
1-[2-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]imidazole has a molecular weight of 335.26 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]imidazole is sourced from PubChem (CID 21481605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).