5-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)methylsulfanyl]-1-methylimidazole

C17H13Cl3N2S — CID 2747525

IUPAC5-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)methylsulfanyl]-1-methylimidazole
SMILESCn1c(-c2ccc(Cl)cc2)cnc1SCc1c(Cl)cccc1Cl
InChIInChI=1S/C17H13Cl3N2S/c1-22-16(11-5-7-12(18)8-6-11)9-21-17(22)23-10-13-14(19)3-2-4-15(13)20/h2-9H,10H2,1H3
InChIKeyGEOBXHFLZAYHDD-UHFFFAOYSA-N
MW383.73 g/mol
LogP6.34
Rot. Bonds4

About 5-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)methylsulfanyl]-1-methylimidazole

5-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)methylsulfanyl]-1-methylimidazole (PubChem CID 2747525) has the molecular formula C17H13Cl3N2S and a molecular weight of 383.73 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)methylsulfanyl]-1-methylimidazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)methylsulfanyl]-1-methylimidazole
PubChem CID2747525
Molecular FormulaC17H13Cl3N2S
Molecular Weight383.73 g/mol
Exact Mass381.99
IUPAC Name5-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)methylsulfanyl]-1-methylimidazole
SMILESCn1c(-c2ccc(Cl)cc2)cnc1SCc1c(Cl)cccc1Cl
InChIInChI=1S/C17H13Cl3N2S/c1-22-16(11-5-7-12(18)8-6-11)9-21-17(22)23-10-13-14(19)3-2-4-15(13)20/h2-9H,10H2,1H3
InChIKeyGEOBXHFLZAYHDD-UHFFFAOYSA-N
XLogP6.34
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.73
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_5_A(8)', 'substructure': 'N/A'}

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Related Compounds

5-(4-chlorophenyl)-1-methyl-2-(naphthalen-1-ylmethylsulfanyl)imidazole
CID 30299815
3-(4-chlorophenyl)-5-[(2,6-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole
CID 3136390
1-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methylsulfanyl]imidazole
CID 2805507
2-[(2,6-dichlorophenyl)methylsulfanyl]-1-methylimidazole
CID 19727760
N-(2,6-dichlorophenyl)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
CID 40510747
3-(3,4-dichlorophenyl)-5-[(2,6-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole
CID 19729080
4-methyl-3-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,2,4-triazole
CID 138038648
2-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 18569168
3-(4-chlorophenyl)-5-[(2,6-dichlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole
CID 2047264
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-methyl-5-(4-methylphenyl)-1,2,4-triazole
CID 17384024
2-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfanyl-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 18569160
5-(4-bromophenyl)-N-[(2,6-dichlorophenyl)methyl]-1-methylimidazol-2-amine
CID 5028642

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)methylsulfanyl]-1-methylimidazole?
The IUPAC name of 5-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)methylsulfanyl]-1-methylimidazole (CID 2747525) is 5-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)methylsulfanyl]-1-methylimidazole.
What is the SMILES notation for 5-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)methylsulfanyl]-1-methylimidazole?
The canonical SMILES for 5-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)methylsulfanyl]-1-methylimidazole is Cn1c(-c2ccc(Cl)cc2)cnc1SCc1c(Cl)cccc1Cl.
What is the InChIKey of 5-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)methylsulfanyl]-1-methylimidazole?
The InChIKey is GEOBXHFLZAYHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl3N2S/c1-22-16(11-5-7-12(18)8-6-11)9-21-17(22)23-10-13-14(19)3-2-4-15(13)20/h2-9H,10H2,1H3.
What are the key properties of 5-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)methylsulfanyl]-1-methylimidazole?
5-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)methylsulfanyl]-1-methylimidazole has a molecular weight of 383.73 g/mol, XLogP of 6.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)methylsulfanyl]-1-methylimidazole is sourced from PubChem (CID 2747525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).