2-(3-methylbenzimidazol-5-yl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole

C18H13F3N4OS — CID 44590565

IUPAC2-(3-methylbenzimidazol-5-yl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole
SMILESCn1cnc2ccc(-c3nnc(SCc4cccc(C(F)(F)F)c4)o3)cc21
InChIInChI=1S/C18H13F3N4OS/c1-25-10-22-14-6-5-12(8-15(14)25)16-23-24-17(26-16)27-9-11-3-2-4-13(7-11)18(19,20)21/h2-8,10H,9H2,1H3
InChIKeyBTMNXEWEJJUIPL-UHFFFAOYSA-N
MW390.39 g/mol
LogP4.93
Rot. Bonds4

About 2-(3-methylbenzimidazol-5-yl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole

2-(3-methylbenzimidazol-5-yl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole (PubChem CID 44590565) has the molecular formula C18H13F3N4OS and a molecular weight of 390.39 g/mol. Its IUPAC name is 2-(3-methylbenzimidazol-5-yl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-methylbenzimidazol-5-yl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole
PubChem CID44590565
Molecular FormulaC18H13F3N4OS
Molecular Weight390.39 g/mol
Exact Mass390.08
IUPAC Name2-(3-methylbenzimidazol-5-yl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole
SMILESCn1cnc2ccc(-c3nnc(SCc4cccc(C(F)(F)F)c4)o3)cc21
InChIInChI=1S/C18H13F3N4OS/c1-25-10-22-14-6-5-12(8-15(14)25)16-23-24-17(26-16)27-9-11-3-2-4-13(7-11)18(19,20)21/h2-8,10H,9H2,1H3
InChIKeyBTMNXEWEJJUIPL-UHFFFAOYSA-N
XLogP4.93
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3-methylbenzimidazol-5-yl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

3-[[[5-[1-(4-methoxyphenyl)-1H-benzimidazol-6-yl]-1,3,4-oxadiazol-2-yl]thio]methyl]benzonitrile
CID 42629114
1-(4-methoxyphenyl)-6-[5-[[4-methoxy-3-(trifluoromethyl)benzyl]thio]-1,3,4-oxadiazol-2-yl]-1H-benzimidazole
CID 44590536
Oxadiazole derivative, 20w
CID 44590537
5-(5-(Benzylthio)-1,3,4-oxadiazol-2-yl)-1H-benzo[d]imidazole
CID 1467864
5-(5-((Naphthalen-2-yl)methylthio)-1,3,4-oxadiazol-2-yl)-1H-benzo[d]imidazole
CID 25024285
5-(5-Phenethyl-1,3,4-oxadiazol-2-yl)-1H-benzo[d]imidazole
CID 58433214
2-(3H-benzimidazol-5-yl)-5-(phenylsulfanylmethyl)-1,3,4-oxadiazole
CID 58433229
2-(benzenesulfonylmethyl)-5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazole
CID 58433250
5-(5-(2,4-Difluorophenethyl)-1,3,4-oxadiazol-2-yl)-1H-benzo[d]imidazole
CID 58433261
2-[(1-Methylbenzimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 5130652
2-(3H-benzimidazol-5-yl)-5-(pyridin-4-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 1467860
5-(5-(Phenethylthio)-1,3,4-oxadiazol-2-yl)-1H-benzo[d]imidazole
CID 25024283

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbenzimidazol-5-yl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(3-methylbenzimidazol-5-yl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole (CID 44590565) is 2-(3-methylbenzimidazol-5-yl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-methylbenzimidazol-5-yl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-methylbenzimidazol-5-yl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole is Cn1cnc2ccc(-c3nnc(SCc4cccc(C(F)(F)F)c4)o3)cc21.
What is the InChIKey of 2-(3-methylbenzimidazol-5-yl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole?
The InChIKey is BTMNXEWEJJUIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4OS/c1-25-10-22-14-6-5-12(8-15(14)25)16-23-24-17(26-16)27-9-11-3-2-4-13(7-11)18(19,20)21/h2-8,10H,9H2,1H3.
What are the key properties of 2-(3-methylbenzimidazol-5-yl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole?
2-(3-methylbenzimidazol-5-yl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 390.39 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbenzimidazol-5-yl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 44590565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).