5-[(3,5-dichlorophenyl)sulfanylmethyl]-1-methylimidazole

C11H10Cl2N2S — CID 166231765

IUPAC5-[(3,5-dichlorophenyl)sulfanylmethyl]-1-methylimidazole
SMILESCn1cncc1CSc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H10Cl2N2S/c1-15-7-14-5-10(15)6-16-11-3-8(12)2-9(13)4-11/h2-5,7H,6H2,1H3
InChIKeyZWMKANUNQSSAOJ-UHFFFAOYSA-N
MW273.19 g/mol
LogP4.02
Rot. Bonds3

About 5-[(3,5-dichlorophenyl)sulfanylmethyl]-1-methylimidazole

5-[(3,5-dichlorophenyl)sulfanylmethyl]-1-methylimidazole (PubChem CID 166231765) has the molecular formula C11H10Cl2N2S and a molecular weight of 273.19 g/mol. Its IUPAC name is 5-[(3,5-dichlorophenyl)sulfanylmethyl]-1-methylimidazole.

Molecular Properties

Compound Name5-[(3,5-dichlorophenyl)sulfanylmethyl]-1-methylimidazole
PubChem CID166231765
Molecular FormulaC11H10Cl2N2S
Molecular Weight273.19 g/mol
Exact Mass271.99
IUPAC Name5-[(3,5-dichlorophenyl)sulfanylmethyl]-1-methylimidazole
SMILESCn1cncc1CSc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H10Cl2N2S/c1-15-7-14-5-10(15)6-16-11-3-8(12)2-9(13)4-11/h2-5,7H,6H2,1H3
InChIKeyZWMKANUNQSSAOJ-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-methyl-5-[(4-propan-2-ylphenyl)sulfanylmethyl]imidazole
CID 167992330
4-chloro-3-[(3-methylimidazol-4-yl)methylsulfanyl]aniline
CID 79143188
3-[(3,5-dichlorophenyl)sulfanylmethyl]-2-methyl-1H-pyrazol-5-one
CID 58453339
4-[(3-methylimidazol-4-yl)methylsulfanyl]pyridin-3-amine
CID 66142138
5-(2-chloroethyl)-1-methylimidazole
CID 55303356
2-[(3-methylimidazol-4-yl)methylsulfanyl]-4H-3,1-benzothiazine
CID 122145740
2-methyl-1-[(3-methylimidazol-4-yl)methylsulfanyl]propan-2-amine
CID 66222518
3-[(3-methylimidazol-4-yl)methylsulfanyl]propane-1,2-diol
CID 79682198
2-[(3-methylimidazol-4-yl)methylsulfanyl]-3H-benzimidazol-5-amine
CID 112645813
4-chloro-2-fluoro-N-[(3-methylimidazol-4-yl)methyl]aniline
CID 66117263
ethane;1-methyl-5-propylimidazole
CID 143528029
2-[2-[(3-methylimidazol-4-yl)methylsulfanyl]-1,3-thiazol-4-yl]acetic acid
CID 66139510

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dichlorophenyl)sulfanylmethyl]-1-methylimidazole?
The IUPAC name of 5-[(3,5-dichlorophenyl)sulfanylmethyl]-1-methylimidazole (CID 166231765) is 5-[(3,5-dichlorophenyl)sulfanylmethyl]-1-methylimidazole.
What is the SMILES notation for 5-[(3,5-dichlorophenyl)sulfanylmethyl]-1-methylimidazole?
The canonical SMILES for 5-[(3,5-dichlorophenyl)sulfanylmethyl]-1-methylimidazole is Cn1cncc1CSc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 5-[(3,5-dichlorophenyl)sulfanylmethyl]-1-methylimidazole?
The InChIKey is ZWMKANUNQSSAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2S/c1-15-7-14-5-10(15)6-16-11-3-8(12)2-9(13)4-11/h2-5,7H,6H2,1H3.
What are the key properties of 5-[(3,5-dichlorophenyl)sulfanylmethyl]-1-methylimidazole?
5-[(3,5-dichlorophenyl)sulfanylmethyl]-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 5-[(3,5-dichlorophenyl)sulfanylmethyl]-1-methylimidazole is sourced from PubChem (CID 166231765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).