2-benzylsulfanyl-1-methyl-4,5-diphenylimidazole

C23H20N2S — CID 3458823

IUPAC2-benzylsulfanyl-1-methyl-4,5-diphenylimidazole
SMILESCn1c(SCc2ccccc2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C23H20N2S/c1-25-22(20-15-9-4-10-16-20)21(19-13-7-3-8-14-19)24-23(25)26-17-18-11-5-2-6-12-18/h2-16H,17H2,1H3
InChIKeyYVYFSQQZHHFZCP-UHFFFAOYSA-N
MW356.49 g/mol
LogP6.05
Rot. Bonds5

About 2-benzylsulfanyl-1-methyl-4,5-diphenylimidazole

2-benzylsulfanyl-1-methyl-4,5-diphenylimidazole (PubChem CID 3458823) has the molecular formula C23H20N2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 2-benzylsulfanyl-1-methyl-4,5-diphenylimidazole.

Molecular Properties

Compound Name2-benzylsulfanyl-1-methyl-4,5-diphenylimidazole
PubChem CID3458823
Molecular FormulaC23H20N2S
Molecular Weight356.49 g/mol
Exact Mass356.13
IUPAC Name2-benzylsulfanyl-1-methyl-4,5-diphenylimidazole
SMILESCn1c(SCc2ccccc2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C23H20N2S/c1-25-22(20-15-9-4-10-16-20)21(19-13-7-3-8-14-19)24-23(25)26-17-18-11-5-2-6-12-18/h2-16H,17H2,1H3
InChIKeyYVYFSQQZHHFZCP-UHFFFAOYSA-N
XLogP6.05
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.49
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-1-methyl-4,5-diphenylimidazole?
The IUPAC name of 2-benzylsulfanyl-1-methyl-4,5-diphenylimidazole (CID 3458823) is 2-benzylsulfanyl-1-methyl-4,5-diphenylimidazole.
What is the SMILES notation for 2-benzylsulfanyl-1-methyl-4,5-diphenylimidazole?
The canonical SMILES for 2-benzylsulfanyl-1-methyl-4,5-diphenylimidazole is Cn1c(SCc2ccccc2)nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-1-methyl-4,5-diphenylimidazole?
The InChIKey is YVYFSQQZHHFZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2S/c1-25-22(20-15-9-4-10-16-20)21(19-13-7-3-8-14-19)24-23(25)26-17-18-11-5-2-6-12-18/h2-16H,17H2,1H3.
What are the key properties of 2-benzylsulfanyl-1-methyl-4,5-diphenylimidazole?
2-benzylsulfanyl-1-methyl-4,5-diphenylimidazole has a molecular weight of 356.49 g/mol, XLogP of 6.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-1-methyl-4,5-diphenylimidazole is sourced from PubChem (CID 3458823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).