2-(2,4-dichlorophenyl)-5-[6-(3-methyl-2H-imidazol-1-yl)hexylsulfanyl]-1,3,4-oxadiazole

C18H22Cl2N4OS — CID 175744348

IUPAC2-(2,4-dichlorophenyl)-5-[6-(3-methyl-2H-imidazol-1-yl)hexylsulfanyl]-1,3,4-oxadiazole
SMILESCN1C=CN(CCCCCCSc2nnc(-c3ccc(Cl)cc3Cl)o2)C1
InChIInChI=1S/C18H22Cl2N4OS/c1-23-9-10-24(13-23)8-4-2-3-5-11-26-18-22-21-17(25-18)15-7-6-14(19)12-16(15)20/h6-7,9-10,12H,2-5,8,11,13H2,1H3
InChIKeyGLGUIJOXLMGGRF-UHFFFAOYSA-N
MW413.37 g/mol
LogP5.37
Rot. Bonds9

About 2-(2,4-dichlorophenyl)-5-[6-(3-methyl-2H-imidazol-1-yl)hexylsulfanyl]-1,3,4-oxadiazole

2-(2,4-dichlorophenyl)-5-[6-(3-methyl-2H-imidazol-1-yl)hexylsulfanyl]-1,3,4-oxadiazole (PubChem CID 175744348) has the molecular formula C18H22Cl2N4OS and a molecular weight of 413.37 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-5-[6-(3-methyl-2H-imidazol-1-yl)hexylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-5-[6-(3-methyl-2H-imidazol-1-yl)hexylsulfanyl]-1,3,4-oxadiazole
PubChem CID175744348
Molecular FormulaC18H22Cl2N4OS
Molecular Weight413.37 g/mol
Exact Mass412.09
IUPAC Name2-(2,4-dichlorophenyl)-5-[6-(3-methyl-2H-imidazol-1-yl)hexylsulfanyl]-1,3,4-oxadiazole
SMILESCN1C=CN(CCCCCCSc2nnc(-c3ccc(Cl)cc3Cl)o2)C1
InChIInChI=1S/C18H22Cl2N4OS/c1-23-9-10-24(13-23)8-4-2-3-5-11-26-18-22-21-17(25-18)15-7-6-14(19)12-16(15)20/h6-7,9-10,12H,2-5,8,11,13H2,1H3
InChIKeyGLGUIJOXLMGGRF-UHFFFAOYSA-N
XLogP5.37
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.37
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2,4-dichlorophenyl)-5-[6-(3-methyl-2H-imidazol-1-yl)hexylsulfanyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone
CID 6456829
2-benzylsulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
CID 562598
2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4,6-trichlorophenyl)acetamide
CID 4254101
4-[[5-(4-chloro-2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanoic acid
CID 139557966
4-[[5-(2-chloro-4-cyclopropyloxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanoic acid
CID 139557969
methyl 4-[[5-(2-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanoate
CID 139557948
benzyl 2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 1102828
2-cyclobutylsulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
CID 153350066
4-[[5-(2-chloro-4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanoic acid
CID 139568657
2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
CID 45134896
(2S)-2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
CID 9484267
tert-butyl 4-[[5-(2-chloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanoate
CID 139557940

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-5-[6-(3-methyl-2H-imidazol-1-yl)hexylsulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2,4-dichlorophenyl)-5-[6-(3-methyl-2H-imidazol-1-yl)hexylsulfanyl]-1,3,4-oxadiazole (CID 175744348) is 2-(2,4-dichlorophenyl)-5-[6-(3-methyl-2H-imidazol-1-yl)hexylsulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-5-[6-(3-methyl-2H-imidazol-1-yl)hexylsulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,4-dichlorophenyl)-5-[6-(3-methyl-2H-imidazol-1-yl)hexylsulfanyl]-1,3,4-oxadiazole is CN1C=CN(CCCCCCSc2nnc(-c3ccc(Cl)cc3Cl)o2)C1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-5-[6-(3-methyl-2H-imidazol-1-yl)hexylsulfanyl]-1,3,4-oxadiazole?
The InChIKey is GLGUIJOXLMGGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N4OS/c1-23-9-10-24(13-23)8-4-2-3-5-11-26-18-22-21-17(25-18)15-7-6-14(19)12-16(15)20/h6-7,9-10,12H,2-5,8,11,13H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-5-[6-(3-methyl-2H-imidazol-1-yl)hexylsulfanyl]-1,3,4-oxadiazole?
2-(2,4-dichlorophenyl)-5-[6-(3-methyl-2H-imidazol-1-yl)hexylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 413.37 g/mol, XLogP of 5.37, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-5-[6-(3-methyl-2H-imidazol-1-yl)hexylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 175744348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).