3-(2-ethylsulfanyl-4,5-diphenylimidazol-1-yl)propane-1,2-diol

C20H22N2O2S — CID 4096565

IUPAC3-(2-ethylsulfanyl-4,5-diphenylimidazol-1-yl)propane-1,2-diol
SMILESCCSc1nc(-c2ccccc2)c(-c2ccccc2)n1CC(O)CO
InChIInChI=1S/C20H22N2O2S/c1-2-25-20-21-18(15-9-5-3-6-10-15)19(16-11-7-4-8-12-16)22(20)13-17(24)14-23/h3-12,17,23-24H,2,13-14H2,1H3
InChIKeyOYTJAOJMSXMYPC-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.68
Rot. Bonds7

About 3-(2-ethylsulfanyl-4,5-diphenylimidazol-1-yl)propane-1,2-diol

3-(2-ethylsulfanyl-4,5-diphenylimidazol-1-yl)propane-1,2-diol (PubChem CID 4096565) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 3-(2-ethylsulfanyl-4,5-diphenylimidazol-1-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-(2-ethylsulfanyl-4,5-diphenylimidazol-1-yl)propane-1,2-diol
PubChem CID4096565
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name3-(2-ethylsulfanyl-4,5-diphenylimidazol-1-yl)propane-1,2-diol
SMILESCCSc1nc(-c2ccccc2)c(-c2ccccc2)n1CC(O)CO
InChIInChI=1S/C20H22N2O2S/c1-2-25-20-21-18(15-9-5-3-6-10-15)19(16-11-7-4-8-12-16)22(20)13-17(24)14-23/h3-12,17,23-24H,2,13-14H2,1H3
InChIKeyOYTJAOJMSXMYPC-UHFFFAOYSA-N
XLogP3.68
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylsulfanyl-4,5-diphenylimidazol-1-yl)propane-1,2-diol?
The IUPAC name of 3-(2-ethylsulfanyl-4,5-diphenylimidazol-1-yl)propane-1,2-diol (CID 4096565) is 3-(2-ethylsulfanyl-4,5-diphenylimidazol-1-yl)propane-1,2-diol.
What is the SMILES notation for 3-(2-ethylsulfanyl-4,5-diphenylimidazol-1-yl)propane-1,2-diol?
The canonical SMILES for 3-(2-ethylsulfanyl-4,5-diphenylimidazol-1-yl)propane-1,2-diol is CCSc1nc(-c2ccccc2)c(-c2ccccc2)n1CC(O)CO.
What is the InChIKey of 3-(2-ethylsulfanyl-4,5-diphenylimidazol-1-yl)propane-1,2-diol?
The InChIKey is OYTJAOJMSXMYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-2-25-20-21-18(15-9-5-3-6-10-15)19(16-11-7-4-8-12-16)22(20)13-17(24)14-23/h3-12,17,23-24H,2,13-14H2,1H3.
What are the key properties of 3-(2-ethylsulfanyl-4,5-diphenylimidazol-1-yl)propane-1,2-diol?
3-(2-ethylsulfanyl-4,5-diphenylimidazol-1-yl)propane-1,2-diol has a molecular weight of 354.48 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylsulfanyl-4,5-diphenylimidazol-1-yl)propane-1,2-diol is sourced from PubChem (CID 4096565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).