2-[(4-methylphenyl)methylsulfanyl]-4,5-diphenyl-1H-imidazole

C23H20N2S — CID 3773711

IUPAC2-[(4-methylphenyl)methylsulfanyl]-4,5-diphenyl-1H-imidazole
SMILESCc1ccc(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C23H20N2S/c1-17-12-14-18(15-13-17)16-26-23-24-21(19-8-4-2-5-9-19)22(25-23)20-10-6-3-7-11-20/h2-15H,16H2,1H3,(H,24,25)
InChIKeyLPYWWPAEVVAXBC-UHFFFAOYSA-N
MW356.49 g/mol
LogP6.34
Rot. Bonds5

About 2-[(4-methylphenyl)methylsulfanyl]-4,5-diphenyl-1H-imidazole

2-[(4-methylphenyl)methylsulfanyl]-4,5-diphenyl-1H-imidazole (PubChem CID 3773711) has the molecular formula C23H20N2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methylsulfanyl]-4,5-diphenyl-1H-imidazole.

Molecular Properties

Compound Name2-[(4-methylphenyl)methylsulfanyl]-4,5-diphenyl-1H-imidazole
PubChem CID3773711
Molecular FormulaC23H20N2S
Molecular Weight356.49 g/mol
Exact Mass356.13
IUPAC Name2-[(4-methylphenyl)methylsulfanyl]-4,5-diphenyl-1H-imidazole
SMILESCc1ccc(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C23H20N2S/c1-17-12-14-18(15-13-17)16-26-23-24-21(19-8-4-2-5-9-19)22(25-23)20-10-6-3-7-11-20/h2-15H,16H2,1H3,(H,24,25)
InChIKeyLPYWWPAEVVAXBC-UHFFFAOYSA-N
XLogP6.34
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.49
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methylsulfanyl]-4,5-diphenyl-1H-imidazole?
The IUPAC name of 2-[(4-methylphenyl)methylsulfanyl]-4,5-diphenyl-1H-imidazole (CID 3773711) is 2-[(4-methylphenyl)methylsulfanyl]-4,5-diphenyl-1H-imidazole.
What is the SMILES notation for 2-[(4-methylphenyl)methylsulfanyl]-4,5-diphenyl-1H-imidazole?
The canonical SMILES for 2-[(4-methylphenyl)methylsulfanyl]-4,5-diphenyl-1H-imidazole is Cc1ccc(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methylsulfanyl]-4,5-diphenyl-1H-imidazole?
The InChIKey is LPYWWPAEVVAXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2S/c1-17-12-14-18(15-13-17)16-26-23-24-21(19-8-4-2-5-9-19)22(25-23)20-10-6-3-7-11-20/h2-15H,16H2,1H3,(H,24,25).
What are the key properties of 2-[(4-methylphenyl)methylsulfanyl]-4,5-diphenyl-1H-imidazole?
2-[(4-methylphenyl)methylsulfanyl]-4,5-diphenyl-1H-imidazole has a molecular weight of 356.49 g/mol, XLogP of 6.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methylsulfanyl]-4,5-diphenyl-1H-imidazole is sourced from PubChem (CID 3773711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).