2-(cyclohexylmethylsulfanyl)-4,5-diphenyl-1H-imidazole

C22H24N2S — CID 10247179

IUPAC2-(cyclohexylmethylsulfanyl)-4,5-diphenyl-1H-imidazole
SMILESc1ccc(-c2nc(SCC3CCCCC3)[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C22H24N2S/c1-4-10-17(11-5-1)16-25-22-23-20(18-12-6-2-7-13-18)21(24-22)19-14-8-3-9-15-19/h2-3,6-9,12-15,17H,1,4-5,10-11,16H2,(H,23,24)
InChIKeyOTOITCXQTIAIEG-UHFFFAOYSA-N
MW348.51 g/mol
LogP6.42
Rot. Bonds5

About 2-(cyclohexylmethylsulfanyl)-4,5-diphenyl-1H-imidazole

2-(cyclohexylmethylsulfanyl)-4,5-diphenyl-1H-imidazole (PubChem CID 10247179) has the molecular formula C22H24N2S and a molecular weight of 348.51 g/mol. Its IUPAC name is 2-(cyclohexylmethylsulfanyl)-4,5-diphenyl-1H-imidazole.

Molecular Properties

Compound Name2-(cyclohexylmethylsulfanyl)-4,5-diphenyl-1H-imidazole
PubChem CID10247179
Molecular FormulaC22H24N2S
Molecular Weight348.51 g/mol
Exact Mass348.17
IUPAC Name2-(cyclohexylmethylsulfanyl)-4,5-diphenyl-1H-imidazole
SMILESc1ccc(-c2nc(SCC3CCCCC3)[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C22H24N2S/c1-4-10-17(11-5-1)16-25-22-23-20(18-12-6-2-7-13-18)21(24-22)19-14-8-3-9-15-19/h2-3,6-9,12-15,17H,1,4-5,10-11,16H2,(H,23,24)
InChIKeyOTOITCXQTIAIEG-UHFFFAOYSA-N
XLogP6.42
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.51
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethylsulfanyl)-4,5-diphenyl-1H-imidazole?
The IUPAC name of 2-(cyclohexylmethylsulfanyl)-4,5-diphenyl-1H-imidazole (CID 10247179) is 2-(cyclohexylmethylsulfanyl)-4,5-diphenyl-1H-imidazole.
What is the SMILES notation for 2-(cyclohexylmethylsulfanyl)-4,5-diphenyl-1H-imidazole?
The canonical SMILES for 2-(cyclohexylmethylsulfanyl)-4,5-diphenyl-1H-imidazole is c1ccc(-c2nc(SCC3CCCCC3)[nH]c2-c2ccccc2)cc1.
What is the InChIKey of 2-(cyclohexylmethylsulfanyl)-4,5-diphenyl-1H-imidazole?
The InChIKey is OTOITCXQTIAIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2S/c1-4-10-17(11-5-1)16-25-22-23-20(18-12-6-2-7-13-18)21(24-22)19-14-8-3-9-15-19/h2-3,6-9,12-15,17H,1,4-5,10-11,16H2,(H,23,24).
What are the key properties of 2-(cyclohexylmethylsulfanyl)-4,5-diphenyl-1H-imidazole?
2-(cyclohexylmethylsulfanyl)-4,5-diphenyl-1H-imidazole has a molecular weight of 348.51 g/mol, XLogP of 6.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethylsulfanyl)-4,5-diphenyl-1H-imidazole is sourced from PubChem (CID 10247179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).