6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-N-ethyl-1H-benzimidazol-2-amine

C20H17F2N9O — CID 162721960

IUPAC6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-N-ethyl-1H-benzimidazol-2-amine
SMILESCCNc1nc2ccc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cn4)nn3)cc2[nH]1
InChIInChI=1S/C20H17F2N9O/c1-2-23-20-25-14-6-4-11(7-15(14)26-20)16-10-31(30-27-16)9-13-5-3-12(8-24-13)18-28-29-19(32-18)17(21)22/h3-8,10,17H,2,9H2,1H3,(H2,23,25,26)
InChIKeyQCIJLXOEDAOJDH-UHFFFAOYSA-N
MW437.41 g/mol
LogP3.68
Rot. Bonds7

About 6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-N-ethyl-1H-benzimidazol-2-amine

6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-N-ethyl-1H-benzimidazol-2-amine (PubChem CID 162721960) has the molecular formula C20H17F2N9O and a molecular weight of 437.41 g/mol. Its IUPAC name is 6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-N-ethyl-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-N-ethyl-1H-benzimidazol-2-amine
PubChem CID162721960
Molecular FormulaC20H17F2N9O
Molecular Weight437.41 g/mol
Exact Mass437.15
IUPAC Name6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-N-ethyl-1H-benzimidazol-2-amine
SMILESCCNc1nc2ccc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cn4)nn3)cc2[nH]1
InChIInChI=1S/C20H17F2N9O/c1-2-23-20-25-14-6-4-11(7-15(14)26-20)16-10-31(30-27-16)9-13-5-3-12(8-24-13)18-28-29-19(32-18)17(21)22/h3-8,10,17H,2,9H2,1H3,(H2,23,25,26)
InChIKeyQCIJLXOEDAOJDH-UHFFFAOYSA-N
XLogP3.68
TPSA123.23 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.41
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-N-ethyl-1H-benzimidazol-2-amine 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 6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-N-ethyl-1H-benzimidazol-2-amine?
The IUPAC name of 6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-N-ethyl-1H-benzimidazol-2-amine (CID 162721960) is 6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-N-ethyl-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-N-ethyl-1H-benzimidazol-2-amine?
The canonical SMILES for 6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-N-ethyl-1H-benzimidazol-2-amine is CCNc1nc2ccc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cn4)nn3)cc2[nH]1.
What is the InChIKey of 6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-N-ethyl-1H-benzimidazol-2-amine?
The InChIKey is QCIJLXOEDAOJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N9O/c1-2-23-20-25-14-6-4-11(7-15(14)26-20)16-10-31(30-27-16)9-13-5-3-12(8-24-13)18-28-29-19(32-18)17(21)22/h3-8,10,17H,2,9H2,1H3,(H2,23,25,26).
What are the key properties of 6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-N-ethyl-1H-benzimidazol-2-amine?
6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-N-ethyl-1H-benzimidazol-2-amine has a molecular weight of 437.41 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-N-ethyl-1H-benzimidazol-2-amine is sourced from PubChem (CID 162721960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).