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

C11H10Cl2N2S — CID 19727760

IUPAC2-[(2,6-dichlorophenyl)methylsulfanyl]-1-methylimidazole
SMILESCn1ccnc1SCc1c(Cl)cccc1Cl
InChIInChI=1S/C11H10Cl2N2S/c1-15-6-5-14-11(15)16-7-8-9(12)3-2-4-10(8)13/h2-6H,7H2,1H3
InChIKeyBVTXWFPENBUQQF-UHFFFAOYSA-N
MW273.19 g/mol
LogP4.02
Rot. Bonds3

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

2-[(2,6-dichlorophenyl)methylsulfanyl]-1-methylimidazole (PubChem CID 19727760) has the molecular formula C11H10Cl2N2S and a molecular weight of 273.19 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methylsulfanyl]-1-methylimidazole.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methylsulfanyl]-1-methylimidazole
PubChem CID19727760
Molecular FormulaC11H10Cl2N2S
Molecular Weight273.19 g/mol
Exact Mass271.99
IUPAC Name2-[(2,6-dichlorophenyl)methylsulfanyl]-1-methylimidazole
SMILESCn1ccnc1SCc1c(Cl)cccc1Cl
InChIInChI=1S/C11H10Cl2N2S/c1-15-6-5-14-11(15)16-7-8-9(12)3-2-4-10(8)13/h2-6H,7H2,1H3
InChIKeyBVTXWFPENBUQQF-UHFFFAOYSA-N
XLogP4.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.19
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methylsulfanyl]imidazole
CID 2805507
1-methyl-2-[(2-methylphenyl)methylsulfanyl]imidazole
CID 5063073
[3-[(1-methylimidazol-2-yl)sulfanylmethyl]phenyl]methanamine
CID 43530165
N-ethyl-3-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridin-2-amine
CID 62468721
[6-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-pyridinyl]hydrazine
CID 79232113
5-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)methylsulfanyl]-1-methylimidazole
CID 2747525
2-[3-chloro-2-(1-methylimidazol-2-yl)sulfanylphenyl]ethanamine
CID 114070439
1-methyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]imidazole
CID 47095383
N-methyl-3-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridin-2-amine
CID 62468722
3-[(2,6-dichlorophenyl)methylsulfanyl]-5-[(4-methoxyphenoxy)methyl]-4-methyl-1,2,4-triazole
CID 7016215
1-methyl-2-[4-(1-methylimidazol-2-yl)sulfanylbut-2-ynylsulfanyl]imidazole
CID 11837105
3-(4-chlorophenyl)-5-[(2,6-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole
CID 3136390

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfanyl]-1-methylimidazole?
The IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfanyl]-1-methylimidazole (CID 19727760) is 2-[(2,6-dichlorophenyl)methylsulfanyl]-1-methylimidazole.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methylsulfanyl]-1-methylimidazole?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methylsulfanyl]-1-methylimidazole is Cn1ccnc1SCc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methylsulfanyl]-1-methylimidazole?
The InChIKey is BVTXWFPENBUQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2S/c1-15-6-5-14-11(15)16-7-8-9(12)3-2-4-10(8)13/h2-6H,7H2,1H3.
What are the key properties of 2-[(2,6-dichlorophenyl)methylsulfanyl]-1-methylimidazole?
2-[(2,6-dichlorophenyl)methylsulfanyl]-1-methylimidazole has a molecular weight of 273.19 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methylsulfanyl]-1-methylimidazole is sourced from PubChem (CID 19727760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).