8-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]ethyl]-1,4-dioxa-8-azaspiro[4.5]decane

C24H27N3O2S — CID 67596114

IUPAC8-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESc1ccc(-c2nc(SCCN3CCC4(CC3)OCCO4)[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C24H27N3O2S/c1-3-7-19(8-4-1)21-22(20-9-5-2-6-10-20)26-23(25-21)30-18-15-27-13-11-24(12-14-27)28-16-17-29-24/h1-10H,11-18H2,(H,25,26)
InChIKeyUFJPQMDTAADWCS-UHFFFAOYSA-N
MW421.57 g/mol
LogP4.67
Rot. Bonds6

About 8-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]ethyl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]ethyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 67596114) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is 8-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]ethyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID67596114
Molecular FormulaC24H27N3O2S
Molecular Weight421.57 g/mol
Exact Mass421.18
IUPAC Name8-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESc1ccc(-c2nc(SCCN3CCC4(CC3)OCCO4)[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C24H27N3O2S/c1-3-7-19(8-4-1)21-22(20-9-5-2-6-10-20)26-23(25-21)30-18-15-27-13-11-24(12-14-27)28-16-17-29-24/h1-10H,11-18H2,(H,25,26)
InChIKeyUFJPQMDTAADWCS-UHFFFAOYSA-N
XLogP4.67
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]ethyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 67596114) is 8-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]ethyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]ethyl]-1,4-dioxa-8-azaspiro[4.5]decane is c1ccc(-c2nc(SCCN3CCC4(CC3)OCCO4)[nH]c2-c2ccccc2)cc1.
What is the InChIKey of 8-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is UFJPQMDTAADWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2S/c1-3-7-19(8-4-1)21-22(20-9-5-2-6-10-20)26-23(25-21)30-18-15-27-13-11-24(12-14-27)28-16-17-29-24/h1-10H,11-18H2,(H,25,26).
What are the key properties of 8-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]ethyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 421.57 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]ethyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 67596114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).