2-[[1-(2,6-dimethylphenyl)-5-phenylimidazol-2-yl]sulfanylmethyl]-5-ethyl-1,3,4-oxadiazole

C22H22N4OS — CID 18130683

IUPAC2-[[1-(2,6-dimethylphenyl)-5-phenylimidazol-2-yl]sulfanylmethyl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(CSc2ncc(-c3ccccc3)n2-c2c(C)cccc2C)o1
InChIInChI=1S/C22H22N4OS/c1-4-19-24-25-20(27-19)14-28-22-23-13-18(17-11-6-5-7-12-17)26(22)21-15(2)9-8-10-16(21)3/h5-13H,4,14H2,1-3H3
InChIKeyYBKGYNUFIHBFJR-UHFFFAOYSA-N
MW390.51 g/mol
LogP5.39
Rot. Bonds6

About 2-[[1-(2,6-dimethylphenyl)-5-phenylimidazol-2-yl]sulfanylmethyl]-5-ethyl-1,3,4-oxadiazole

2-[[1-(2,6-dimethylphenyl)-5-phenylimidazol-2-yl]sulfanylmethyl]-5-ethyl-1,3,4-oxadiazole (PubChem CID 18130683) has the molecular formula C22H22N4OS and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-[[1-(2,6-dimethylphenyl)-5-phenylimidazol-2-yl]sulfanylmethyl]-5-ethyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[1-(2,6-dimethylphenyl)-5-phenylimidazol-2-yl]sulfanylmethyl]-5-ethyl-1,3,4-oxadiazole
PubChem CID18130683
Molecular FormulaC22H22N4OS
Molecular Weight390.51 g/mol
Exact Mass390.15
IUPAC Name2-[[1-(2,6-dimethylphenyl)-5-phenylimidazol-2-yl]sulfanylmethyl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(CSc2ncc(-c3ccccc3)n2-c2c(C)cccc2C)o1
InChIInChI=1S/C22H22N4OS/c1-4-19-24-25-20(27-19)14-28-22-23-13-18(17-11-6-5-7-12-17)26(22)21-15(2)9-8-10-16(21)3/h5-13H,4,14H2,1-3H3
InChIKeyYBKGYNUFIHBFJR-UHFFFAOYSA-N
XLogP5.39
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.51
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-ethyl-1,3,4-oxadiazole
CID 37078179
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-3-(2-methylphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 24576324
2-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-ethyl-1,3,4-oxadiazole
CID 134010931
3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine
CID 29179177
2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole
CID 40559953
2-ethyl-5-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 18130571
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-3-phenylquinazolin-4-one
CID 18130534
2-ethyl-5-[[(R)-(2-methylphenyl)-phenylmethyl]sulfanylmethyl]-1,3,4-oxadiazole
CID 97320755
2-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 40669203
2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 18075844
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-3-methylquinazolin-4-one
CID 38918633
2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 95990008

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,6-dimethylphenyl)-5-phenylimidazol-2-yl]sulfanylmethyl]-5-ethyl-1,3,4-oxadiazole?
The IUPAC name of 2-[[1-(2,6-dimethylphenyl)-5-phenylimidazol-2-yl]sulfanylmethyl]-5-ethyl-1,3,4-oxadiazole (CID 18130683) is 2-[[1-(2,6-dimethylphenyl)-5-phenylimidazol-2-yl]sulfanylmethyl]-5-ethyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[1-(2,6-dimethylphenyl)-5-phenylimidazol-2-yl]sulfanylmethyl]-5-ethyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[1-(2,6-dimethylphenyl)-5-phenylimidazol-2-yl]sulfanylmethyl]-5-ethyl-1,3,4-oxadiazole is CCc1nnc(CSc2ncc(-c3ccccc3)n2-c2c(C)cccc2C)o1.
What is the InChIKey of 2-[[1-(2,6-dimethylphenyl)-5-phenylimidazol-2-yl]sulfanylmethyl]-5-ethyl-1,3,4-oxadiazole?
The InChIKey is YBKGYNUFIHBFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4OS/c1-4-19-24-25-20(27-19)14-28-22-23-13-18(17-11-6-5-7-12-17)26(22)21-15(2)9-8-10-16(21)3/h5-13H,4,14H2,1-3H3.
What are the key properties of 2-[[1-(2,6-dimethylphenyl)-5-phenylimidazol-2-yl]sulfanylmethyl]-5-ethyl-1,3,4-oxadiazole?
2-[[1-(2,6-dimethylphenyl)-5-phenylimidazol-2-yl]sulfanylmethyl]-5-ethyl-1,3,4-oxadiazole has a molecular weight of 390.51 g/mol, XLogP of 5.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,6-dimethylphenyl)-5-phenylimidazol-2-yl]sulfanylmethyl]-5-ethyl-1,3,4-oxadiazole is sourced from PubChem (CID 18130683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).