2-(1,3-dioxolan-2-ylmethylsulfanyl)-4,5-diphenyl-1H-imidazole

C19H18N2O2S — CID 10020026

IUPAC2-(1,3-dioxolan-2-ylmethylsulfanyl)-4,5-diphenyl-1H-imidazole
SMILESc1ccc(-c2nc(SCC3OCCO3)[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C19H18N2O2S/c1-3-7-14(8-4-1)17-18(15-9-5-2-6-10-15)21-19(20-17)24-13-16-22-11-12-23-16/h1-10,16H,11-13H2,(H,20,21)
InChIKeyYLNNMVWQSVEOOD-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.21
Rot. Bonds5

About 2-(1,3-dioxolan-2-ylmethylsulfanyl)-4,5-diphenyl-1H-imidazole

2-(1,3-dioxolan-2-ylmethylsulfanyl)-4,5-diphenyl-1H-imidazole (PubChem CID 10020026) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-ylmethylsulfanyl)-4,5-diphenyl-1H-imidazole.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-ylmethylsulfanyl)-4,5-diphenyl-1H-imidazole
PubChem CID10020026
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name2-(1,3-dioxolan-2-ylmethylsulfanyl)-4,5-diphenyl-1H-imidazole
SMILESc1ccc(-c2nc(SCC3OCCO3)[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C19H18N2O2S/c1-3-7-14(8-4-1)17-18(15-9-5-2-6-10-15)21-19(20-17)24-13-16-22-11-12-23-16/h1-10,16H,11-13H2,(H,20,21)
InChIKeyYLNNMVWQSVEOOD-UHFFFAOYSA-N
XLogP4.21
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-ylmethylsulfanyl)-4,5-diphenyl-1H-imidazole?
The IUPAC name of 2-(1,3-dioxolan-2-ylmethylsulfanyl)-4,5-diphenyl-1H-imidazole (CID 10020026) is 2-(1,3-dioxolan-2-ylmethylsulfanyl)-4,5-diphenyl-1H-imidazole.
What is the SMILES notation for 2-(1,3-dioxolan-2-ylmethylsulfanyl)-4,5-diphenyl-1H-imidazole?
The canonical SMILES for 2-(1,3-dioxolan-2-ylmethylsulfanyl)-4,5-diphenyl-1H-imidazole is c1ccc(-c2nc(SCC3OCCO3)[nH]c2-c2ccccc2)cc1.
What is the InChIKey of 2-(1,3-dioxolan-2-ylmethylsulfanyl)-4,5-diphenyl-1H-imidazole?
The InChIKey is YLNNMVWQSVEOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-3-7-14(8-4-1)17-18(15-9-5-2-6-10-15)21-19(20-17)24-13-16-22-11-12-23-16/h1-10,16H,11-13H2,(H,20,21).
What are the key properties of 2-(1,3-dioxolan-2-ylmethylsulfanyl)-4,5-diphenyl-1H-imidazole?
2-(1,3-dioxolan-2-ylmethylsulfanyl)-4,5-diphenyl-1H-imidazole has a molecular weight of 338.43 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-ylmethylsulfanyl)-4,5-diphenyl-1H-imidazole is sourced from PubChem (CID 10020026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).