2-[(2-methylphenyl)methylsulfanyl]-1-phenylimidazole

C17H16N2S — CID 1477494

IUPAC2-[(2-methylphenyl)methylsulfanyl]-1-phenylimidazole
SMILESCc1ccccc1CSc1nccn1-c1ccccc1
InChIInChI=1S/C17H16N2S/c1-14-7-5-6-8-15(14)13-20-17-18-11-12-19(17)16-9-3-2-4-10-16/h2-12H,13H2,1H3
InChIKeyDESKGGSHOSSBBQ-UHFFFAOYSA-N
MW280.40 g/mol
LogP4.47
Rot. Bonds4

About 2-[(2-methylphenyl)methylsulfanyl]-1-phenylimidazole

2-[(2-methylphenyl)methylsulfanyl]-1-phenylimidazole (PubChem CID 1477494) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methylsulfanyl]-1-phenylimidazole.

Molecular Properties

Compound Name2-[(2-methylphenyl)methylsulfanyl]-1-phenylimidazole
PubChem CID1477494
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC Name2-[(2-methylphenyl)methylsulfanyl]-1-phenylimidazole
SMILESCc1ccccc1CSc1nccn1-c1ccccc1
InChIInChI=1S/C17H16N2S/c1-14-7-5-6-8-15(14)13-20-17-18-11-12-19(17)16-9-3-2-4-10-16/h2-12H,13H2,1H3
InChIKeyDESKGGSHOSSBBQ-UHFFFAOYSA-N
XLogP4.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methylsulfanyl]-1-phenylimidazole?
The IUPAC name of 2-[(2-methylphenyl)methylsulfanyl]-1-phenylimidazole (CID 1477494) is 2-[(2-methylphenyl)methylsulfanyl]-1-phenylimidazole.
What is the SMILES notation for 2-[(2-methylphenyl)methylsulfanyl]-1-phenylimidazole?
The canonical SMILES for 2-[(2-methylphenyl)methylsulfanyl]-1-phenylimidazole is Cc1ccccc1CSc1nccn1-c1ccccc1.
What is the InChIKey of 2-[(2-methylphenyl)methylsulfanyl]-1-phenylimidazole?
The InChIKey is DESKGGSHOSSBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c1-14-7-5-6-8-15(14)13-20-17-18-11-12-19(17)16-9-3-2-4-10-16/h2-12H,13H2,1H3.
What are the key properties of 2-[(2-methylphenyl)methylsulfanyl]-1-phenylimidazole?
2-[(2-methylphenyl)methylsulfanyl]-1-phenylimidazole has a molecular weight of 280.40 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methylsulfanyl]-1-phenylimidazole is sourced from PubChem (CID 1477494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).