4-[6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]-1H-benzimidazol-2-yl]morpholine

C23H20F2N8O2 — CID 162722702

IUPAC4-[6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]-1H-benzimidazol-2-yl]morpholine
SMILESFC(F)c1nnc(-c2ccc(Cn3cc(-c4ccc5nc(N6CCOCC6)[nH]c5c4)nn3)cc2)o1
InChIInChI=1S/C23H20F2N8O2/c24-20(25)22-30-29-21(35-22)15-3-1-14(2-4-15)12-33-13-19(28-31-33)16-5-6-17-18(11-16)27-23(26-17)32-7-9-34-10-8-32/h1-6,11,13,20H,7-10,12H2,(H,26,27)
InChIKeyRXBCGNIGRBJJPB-UHFFFAOYSA-N
MW478.46 g/mol
LogP3.69
Rot. Bonds6

About 4-[6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]-1H-benzimidazol-2-yl]morpholine

4-[6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]-1H-benzimidazol-2-yl]morpholine (PubChem CID 162722702) has the molecular formula C23H20F2N8O2 and a molecular weight of 478.46 g/mol. Its IUPAC name is 4-[6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]-1H-benzimidazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]-1H-benzimidazol-2-yl]morpholine
PubChem CID162722702
Molecular FormulaC23H20F2N8O2
Molecular Weight478.46 g/mol
Exact Mass478.17
IUPAC Name4-[6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]-1H-benzimidazol-2-yl]morpholine
SMILESFC(F)c1nnc(-c2ccc(Cn3cc(-c4ccc5nc(N6CCOCC6)[nH]c5c4)nn3)cc2)o1
InChIInChI=1S/C23H20F2N8O2/c24-20(25)22-30-29-21(35-22)15-3-1-14(2-4-15)12-33-13-19(28-31-33)16-5-6-17-18(11-16)27-23(26-17)32-7-9-34-10-8-32/h1-6,11,13,20H,7-10,12H2,(H,26,27)
InChIKeyRXBCGNIGRBJJPB-UHFFFAOYSA-N
XLogP3.69
TPSA110.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.46
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]-1H-benzimidazol-2-yl]morpholine?
The IUPAC name of 4-[6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]-1H-benzimidazol-2-yl]morpholine (CID 162722702) is 4-[6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]-1H-benzimidazol-2-yl]morpholine.
What is the SMILES notation for 4-[6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]-1H-benzimidazol-2-yl]morpholine?
The canonical SMILES for 4-[6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]-1H-benzimidazol-2-yl]morpholine is FC(F)c1nnc(-c2ccc(Cn3cc(-c4ccc5nc(N6CCOCC6)[nH]c5c4)nn3)cc2)o1.
What is the InChIKey of 4-[6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]-1H-benzimidazol-2-yl]morpholine?
The InChIKey is RXBCGNIGRBJJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N8O2/c24-20(25)22-30-29-21(35-22)15-3-1-14(2-4-15)12-33-13-19(28-31-33)16-5-6-17-18(11-16)27-23(26-17)32-7-9-34-10-8-32/h1-6,11,13,20H,7-10,12H2,(H,26,27).
What are the key properties of 4-[6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]-1H-benzimidazol-2-yl]morpholine?
4-[6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]-1H-benzimidazol-2-yl]morpholine has a molecular weight of 478.46 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]-1H-benzimidazol-2-yl]morpholine is sourced from PubChem (CID 162722702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).