5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-3-ethyl-1,2,4-oxadiazole

C20H18N4OS — CID 46528835

IUPAC5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)n1
InChIInChI=1S/C20H18N4OS/c1-2-16-21-17(25-24-16)13-26-20-22-18(14-9-5-3-6-10-14)19(23-20)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3,(H,22,23)
InChIKeyHFCNKPDLXCTQEH-UHFFFAOYSA-N
MW362.46 g/mol
LogP4.98
Rot. Bonds6

About 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-3-ethyl-1,2,4-oxadiazole

5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-3-ethyl-1,2,4-oxadiazole (PubChem CID 46528835) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-3-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-3-ethyl-1,2,4-oxadiazole
PubChem CID46528835
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC Name5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)n1
InChIInChI=1S/C20H18N4OS/c1-2-16-21-17(25-24-16)13-26-20-22-18(14-9-5-3-6-10-14)19(23-20)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3,(H,22,23)
InChIKeyHFCNKPDLXCTQEH-UHFFFAOYSA-N
XLogP4.98
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-3-ethyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-3-ethyl-1,2,4-oxadiazole (CID 46528835) is 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-3-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-3-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-3-ethyl-1,2,4-oxadiazole is CCc1noc(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)n1.
What is the InChIKey of 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-3-ethyl-1,2,4-oxadiazole?
The InChIKey is HFCNKPDLXCTQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c1-2-16-21-17(25-24-16)13-26-20-22-18(14-9-5-3-6-10-14)19(23-20)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3,(H,22,23).
What are the key properties of 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-3-ethyl-1,2,4-oxadiazole?
5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-3-ethyl-1,2,4-oxadiazole has a molecular weight of 362.46 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-3-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 46528835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).