5-chloro-2-[(4-chlorophenyl)sulfanylmethyl]-1-methylimidazole

C11H10Cl2N2S — CID 86908683

IUPAC5-chloro-2-[(4-chlorophenyl)sulfanylmethyl]-1-methylimidazole
SMILESCn1c(Cl)cnc1CSc1ccc(Cl)cc1
InChIInChI=1S/C11H10Cl2N2S/c1-15-10(13)6-14-11(15)7-16-9-4-2-8(12)3-5-9/h2-6H,7H2,1H3
InChIKeyBCMVLQWCNGUTSN-UHFFFAOYSA-N
MW273.19 g/mol
LogP4.02
Rot. Bonds3

About 5-chloro-2-[(4-chlorophenyl)sulfanylmethyl]-1-methylimidazole

5-chloro-2-[(4-chlorophenyl)sulfanylmethyl]-1-methylimidazole (PubChem CID 86908683) has the molecular formula C11H10Cl2N2S and a molecular weight of 273.19 g/mol. Its IUPAC name is 5-chloro-2-[(4-chlorophenyl)sulfanylmethyl]-1-methylimidazole.

Molecular Properties

Compound Name5-chloro-2-[(4-chlorophenyl)sulfanylmethyl]-1-methylimidazole
PubChem CID86908683
Molecular FormulaC11H10Cl2N2S
Molecular Weight273.19 g/mol
Exact Mass271.99
IUPAC Name5-chloro-2-[(4-chlorophenyl)sulfanylmethyl]-1-methylimidazole
SMILESCn1c(Cl)cnc1CSc1ccc(Cl)cc1
InChIInChI=1S/C11H10Cl2N2S/c1-15-10(13)6-14-11(15)7-16-9-4-2-8(12)3-5-9/h2-6H,7H2,1H3
InChIKeyBCMVLQWCNGUTSN-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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(4-chlorophenyl)sulfanylmethyl]-1-methylimidazole?
The IUPAC name of 5-chloro-2-[(4-chlorophenyl)sulfanylmethyl]-1-methylimidazole (CID 86908683) is 5-chloro-2-[(4-chlorophenyl)sulfanylmethyl]-1-methylimidazole.
What is the SMILES notation for 5-chloro-2-[(4-chlorophenyl)sulfanylmethyl]-1-methylimidazole?
The canonical SMILES for 5-chloro-2-[(4-chlorophenyl)sulfanylmethyl]-1-methylimidazole is Cn1c(Cl)cnc1CSc1ccc(Cl)cc1.
What is the InChIKey of 5-chloro-2-[(4-chlorophenyl)sulfanylmethyl]-1-methylimidazole?
The InChIKey is BCMVLQWCNGUTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2S/c1-15-10(13)6-14-11(15)7-16-9-4-2-8(12)3-5-9/h2-6H,7H2,1H3.
What are the key properties of 5-chloro-2-[(4-chlorophenyl)sulfanylmethyl]-1-methylimidazole?
5-chloro-2-[(4-chlorophenyl)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-chloro-2-[(4-chlorophenyl)sulfanylmethyl]-1-methylimidazole is sourced from PubChem (CID 86908683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).