2-(naphthalen-1-ylmethylsulfanyl)-5-phenyl-1H-imidazole

C20H16N2S — CID 588118

IUPAC2-(naphthalen-1-ylmethylsulfanyl)-5-phenyl-1H-imidazole
SMILESc1ccc(-c2cnc(SCc3cccc4ccccc34)[nH]2)cc1
InChIInChI=1S/C20H16N2S/c1-2-8-16(9-3-1)19-13-21-20(22-19)23-14-17-11-6-10-15-7-4-5-12-18(15)17/h1-13H,14H2,(H,21,22)
InChIKeyVFJRCKQDZCBVCY-UHFFFAOYSA-N
MW316.43 g/mol
LogP5.52
Rot. Bonds4

About 2-(naphthalen-1-ylmethylsulfanyl)-5-phenyl-1H-imidazole

2-(naphthalen-1-ylmethylsulfanyl)-5-phenyl-1H-imidazole (PubChem CID 588118) has the molecular formula C20H16N2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-(naphthalen-1-ylmethylsulfanyl)-5-phenyl-1H-imidazole.

Molecular Properties

Compound Name2-(naphthalen-1-ylmethylsulfanyl)-5-phenyl-1H-imidazole
PubChem CID588118
Molecular FormulaC20H16N2S
Molecular Weight316.43 g/mol
Exact Mass316.10
IUPAC Name2-(naphthalen-1-ylmethylsulfanyl)-5-phenyl-1H-imidazole
SMILESc1ccc(-c2cnc(SCc3cccc4ccccc34)[nH]2)cc1
InChIInChI=1S/C20H16N2S/c1-2-8-16(9-3-1)19-13-21-20(22-19)23-14-17-11-6-10-15-7-4-5-12-18(15)17/h1-13H,14H2,(H,21,22)
InChIKeyVFJRCKQDZCBVCY-UHFFFAOYSA-N
XLogP5.52
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.43
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylmethylsulfanyl)-5-phenyl-1H-imidazole?
The IUPAC name of 2-(naphthalen-1-ylmethylsulfanyl)-5-phenyl-1H-imidazole (CID 588118) is 2-(naphthalen-1-ylmethylsulfanyl)-5-phenyl-1H-imidazole.
What is the SMILES notation for 2-(naphthalen-1-ylmethylsulfanyl)-5-phenyl-1H-imidazole?
The canonical SMILES for 2-(naphthalen-1-ylmethylsulfanyl)-5-phenyl-1H-imidazole is c1ccc(-c2cnc(SCc3cccc4ccccc34)[nH]2)cc1.
What is the InChIKey of 2-(naphthalen-1-ylmethylsulfanyl)-5-phenyl-1H-imidazole?
The InChIKey is VFJRCKQDZCBVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2S/c1-2-8-16(9-3-1)19-13-21-20(22-19)23-14-17-11-6-10-15-7-4-5-12-18(15)17/h1-13H,14H2,(H,21,22).
What are the key properties of 2-(naphthalen-1-ylmethylsulfanyl)-5-phenyl-1H-imidazole?
2-(naphthalen-1-ylmethylsulfanyl)-5-phenyl-1H-imidazole has a molecular weight of 316.43 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylmethylsulfanyl)-5-phenyl-1H-imidazole is sourced from PubChem (CID 588118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).