1-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfanylmethyl]imidazole

C18H17ClN2S — CID 2822150

IUPAC1-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfanylmethyl]imidazole
SMILESCc1ccc(SCc2nccn2Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H17ClN2S/c1-14-2-8-17(9-3-14)22-13-18-20-10-11-21(18)12-15-4-6-16(19)7-5-15/h2-11H,12-13H2,1H3
InChIKeyJTHFDGCUCRYFBZ-UHFFFAOYSA-N
MW328.87 g/mol
LogP5.19
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfanylmethyl]imidazole

1-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfanylmethyl]imidazole (PubChem CID 2822150) has the molecular formula C18H17ClN2S and a molecular weight of 328.87 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfanylmethyl]imidazole.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfanylmethyl]imidazole
PubChem CID2822150
Molecular FormulaC18H17ClN2S
Molecular Weight328.87 g/mol
Exact Mass328.08
IUPAC Name1-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfanylmethyl]imidazole
SMILESCc1ccc(SCc2nccn2Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H17ClN2S/c1-14-2-8-17(9-3-14)22-13-18-20-10-11-21(18)12-15-4-6-16(19)7-5-15/h2-11H,12-13H2,1H3
InChIKeyJTHFDGCUCRYFBZ-UHFFFAOYSA-N
XLogP5.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.87
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfanylmethyl]imidazole?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfanylmethyl]imidazole (CID 2822150) is 1-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfanylmethyl]imidazole.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfanylmethyl]imidazole?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfanylmethyl]imidazole is Cc1ccc(SCc2nccn2Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfanylmethyl]imidazole?
The InChIKey is JTHFDGCUCRYFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2S/c1-14-2-8-17(9-3-14)22-13-18-20-10-11-21(18)12-15-4-6-16(19)7-5-15/h2-11H,12-13H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfanylmethyl]imidazole?
1-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfanylmethyl]imidazole has a molecular weight of 328.87 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfanylmethyl]imidazole is sourced from PubChem (CID 2822150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).