1-[(4-chlorophenyl)-(4-chlorophenyl)sulfanylmethyl]imidazole

C16H12Cl2N2S — CID 70611026

IUPAC1-[(4-chlorophenyl)-(4-chlorophenyl)sulfanylmethyl]imidazole
SMILESClc1ccc(SC(c2ccc(Cl)cc2)n2ccnc2)cc1
InChIInChI=1S/C16H12Cl2N2S/c17-13-3-1-12(2-4-13)16(20-10-9-19-11-20)21-15-7-5-14(18)6-8-15/h1-11,16H
InChIKeyGMIBQZQRAXTAFL-UHFFFAOYSA-N
MW335.26 g/mol
LogP5.53
Rot. Bonds4

About 1-[(4-chlorophenyl)-(4-chlorophenyl)sulfanylmethyl]imidazole

1-[(4-chlorophenyl)-(4-chlorophenyl)sulfanylmethyl]imidazole (PubChem CID 70611026) has the molecular formula C16H12Cl2N2S and a molecular weight of 335.26 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-(4-chlorophenyl)sulfanylmethyl]imidazole.

Molecular Properties

Compound Name1-[(4-chlorophenyl)-(4-chlorophenyl)sulfanylmethyl]imidazole
PubChem CID70611026
Molecular FormulaC16H12Cl2N2S
Molecular Weight335.26 g/mol
Exact Mass334.01
IUPAC Name1-[(4-chlorophenyl)-(4-chlorophenyl)sulfanylmethyl]imidazole
SMILESClc1ccc(SC(c2ccc(Cl)cc2)n2ccnc2)cc1
InChIInChI=1S/C16H12Cl2N2S/c17-13-3-1-12(2-4-13)16(20-10-9-19-11-20)21-15-7-5-14(18)6-8-15/h1-11,16H
InChIKeyGMIBQZQRAXTAFL-UHFFFAOYSA-N
XLogP5.53
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 ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-chloro-2-(4-chlorophenyl)-2-phenylsulfanylethyl]imidazole
CID 70637358
1-[1-(4-chlorophenyl)sulfanyl-2-phenylethyl]imidazole
CID 71324262
1-[2-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylethyl]imidazole
CID 21402207
1-[1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-yl]imidazole
CID 171986373
1-[1-chloro-2-(4-chlorophenyl)-2-(3-chlorophenyl)sulfanylethyl]imidazole
CID 70636344
1-[(R)-(4-chlorophenyl)-(4-pyrrol-1-ylphenyl)methyl]imidazole
CID 57395780
1-[(4-chlorophenyl)-(2,4-dichlorophenyl)methyl]imidazole
CID 53262807
2-tert-butylsulfanyl-1-(4-chlorophenyl)-2-imidazol-1-ylethanol
CID 46230739
1-[1-chloro-2-(4-chlorophenyl)-2-thiophen-2-ylsulfanylethyl]imidazole
CID 70620777
1-(4-chlorophenyl)-1-imidazol-1-yl-3,3-dimethylbutan-2-one
CID 57000012
1-[[1-(4-chlorophenyl)pyrrol-3-yl]-(4-fluorophenyl)methyl]imidazole
CID 6481278
S-[2-chloro-1-(4-chlorophenyl)-2-imidazol-1-ylethyl] 2-(4-chlorophenyl)ethanethioate
CID 88823868

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)-(4-chlorophenyl)sulfanylmethyl]imidazole?
The IUPAC name of 1-[(4-chlorophenyl)-(4-chlorophenyl)sulfanylmethyl]imidazole (CID 70611026) is 1-[(4-chlorophenyl)-(4-chlorophenyl)sulfanylmethyl]imidazole.
What is the SMILES notation for 1-[(4-chlorophenyl)-(4-chlorophenyl)sulfanylmethyl]imidazole?
The canonical SMILES for 1-[(4-chlorophenyl)-(4-chlorophenyl)sulfanylmethyl]imidazole is Clc1ccc(SC(c2ccc(Cl)cc2)n2ccnc2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)-(4-chlorophenyl)sulfanylmethyl]imidazole?
The InChIKey is GMIBQZQRAXTAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2S/c17-13-3-1-12(2-4-13)16(20-10-9-19-11-20)21-15-7-5-14(18)6-8-15/h1-11,16H.
What are the key properties of 1-[(4-chlorophenyl)-(4-chlorophenyl)sulfanylmethyl]imidazole?
1-[(4-chlorophenyl)-(4-chlorophenyl)sulfanylmethyl]imidazole has a molecular weight of 335.26 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)-(4-chlorophenyl)sulfanylmethyl]imidazole is sourced from PubChem (CID 70611026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).