5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]-1,3-dimethylbenzimidazol-2-imine

C21H18F2N8O — CID 162722269

IUPAC5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]-1,3-dimethylbenzimidazol-2-imine
SMILES[H]/N=c1\n(C)c2ccc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cc4)nn3)cc2n1C
InChIInChI=1S/C21H18F2N8O/c1-29-16-8-7-14(9-17(16)30(2)21(29)24)15-11-31(28-25-15)10-12-3-5-13(6-4-12)19-26-27-20(32-19)18(22)23/h3-9,11,18,24H,10H2,1-2H3/b24-21+
InChIKeyPDGAOWUSIXIOJO-DARPEHSRSA-N
MW436.43 g/mol
LogP3.29
Rot. Bonds5

About 5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]-1,3-dimethylbenzimidazol-2-imine

5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]-1,3-dimethylbenzimidazol-2-imine (PubChem CID 162722269) has the molecular formula C21H18F2N8O and a molecular weight of 436.43 g/mol. Its IUPAC name is 5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]-1,3-dimethylbenzimidazol-2-imine.

Molecular Properties

Compound Name5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]-1,3-dimethylbenzimidazol-2-imine
PubChem CID162722269
Molecular FormulaC21H18F2N8O
Molecular Weight436.43 g/mol
Exact Mass436.16
IUPAC Name5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]-1,3-dimethylbenzimidazol-2-imine
SMILES[H]/N=c1\n(C)c2ccc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cc4)nn3)cc2n1C
InChIInChI=1S/C21H18F2N8O/c1-29-16-8-7-14(9-17(16)30(2)21(29)24)15-11-31(28-25-15)10-12-3-5-13(6-4-12)19-26-27-20(32-19)18(22)23/h3-9,11,18,24H,10H2,1-2H3/b24-21+
InChIKeyPDGAOWUSIXIOJO-DARPEHSRSA-N
XLogP3.29
TPSA103.34 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]-1,3-dimethylbenzimidazol-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]-1,3-dimethylbenzimidazol-2-imine?
The IUPAC name of 5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]-1,3-dimethylbenzimidazol-2-imine (CID 162722269) is 5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]-1,3-dimethylbenzimidazol-2-imine.
What is the SMILES notation for 5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]-1,3-dimethylbenzimidazol-2-imine?
The canonical SMILES for 5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]-1,3-dimethylbenzimidazol-2-imine is [H]/N=c1\n(C)c2ccc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cc4)nn3)cc2n1C.
What is the InChIKey of 5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]-1,3-dimethylbenzimidazol-2-imine?
The InChIKey is PDGAOWUSIXIOJO-DARPEHSRSA-N. The full InChI is InChI=1S/C21H18F2N8O/c1-29-16-8-7-14(9-17(16)30(2)21(29)24)15-11-31(28-25-15)10-12-3-5-13(6-4-12)19-26-27-20(32-19)18(22)23/h3-9,11,18,24H,10H2,1-2H3/b24-21+.
What are the key properties of 5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]-1,3-dimethylbenzimidazol-2-imine?
5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]-1,3-dimethylbenzimidazol-2-imine has a molecular weight of 436.43 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]-1,3-dimethylbenzimidazol-2-imine is sourced from PubChem (CID 162722269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).