5-benzyl-2-benzylsulfanyl-1H-imidazole

C17H16N2S — CID 10221342

IUPAC5-benzyl-2-benzylsulfanyl-1H-imidazole
SMILESc1ccc(CSc2ncc(Cc3ccccc3)[nH]2)cc1
InChIInChI=1S/C17H16N2S/c1-3-7-14(8-4-1)11-16-12-18-17(19-16)20-13-15-9-5-2-6-10-15/h1-10,12H,11,13H2,(H,18,19)
InChIKeyDXMHFJVQTIJQOG-UHFFFAOYSA-N
MW280.40 g/mol
LogP4.29
Rot. Bonds5

About 5-benzyl-2-benzylsulfanyl-1H-imidazole

5-benzyl-2-benzylsulfanyl-1H-imidazole (PubChem CID 10221342) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is 5-benzyl-2-benzylsulfanyl-1H-imidazole.

Molecular Properties

Compound Name5-benzyl-2-benzylsulfanyl-1H-imidazole
PubChem CID10221342
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC Name5-benzyl-2-benzylsulfanyl-1H-imidazole
SMILESc1ccc(CSc2ncc(Cc3ccccc3)[nH]2)cc1
InChIInChI=1S/C17H16N2S/c1-3-7-14(8-4-1)11-16-12-18-17(19-16)20-13-15-9-5-2-6-10-15/h1-10,12H,11,13H2,(H,18,19)
InChIKeyDXMHFJVQTIJQOG-UHFFFAOYSA-N
XLogP4.29
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-benzylsulfanyl-1H-imidazole?
The IUPAC name of 5-benzyl-2-benzylsulfanyl-1H-imidazole (CID 10221342) is 5-benzyl-2-benzylsulfanyl-1H-imidazole.
What is the SMILES notation for 5-benzyl-2-benzylsulfanyl-1H-imidazole?
The canonical SMILES for 5-benzyl-2-benzylsulfanyl-1H-imidazole is c1ccc(CSc2ncc(Cc3ccccc3)[nH]2)cc1.
What is the InChIKey of 5-benzyl-2-benzylsulfanyl-1H-imidazole?
The InChIKey is DXMHFJVQTIJQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c1-3-7-14(8-4-1)11-16-12-18-17(19-16)20-13-15-9-5-2-6-10-15/h1-10,12H,11,13H2,(H,18,19).
What are the key properties of 5-benzyl-2-benzylsulfanyl-1H-imidazole?
5-benzyl-2-benzylsulfanyl-1H-imidazole has a molecular weight of 280.40 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-benzylsulfanyl-1H-imidazole is sourced from PubChem (CID 10221342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).