3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]benzamide

C20H15F2N5O2 — CID 162722309

IUPAC3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]benzamide
SMILESNC(=O)c1cccc(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)cn2)c1
InChIInChI=1S/C20H15F2N5O2/c21-17(22)20-26-25-19(29-20)13-6-4-12(5-7-13)9-27-10-16(24-11-27)14-2-1-3-15(8-14)18(23)28/h1-8,10-11,17H,9H2,(H2,23,28)
InChIKeyUDDRBLHTSSBYHN-UHFFFAOYSA-N
MW395.37 g/mol
LogP3.68
Rot. Bonds6

About 3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]benzamide

3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]benzamide (PubChem CID 162722309) has the molecular formula C20H15F2N5O2 and a molecular weight of 395.37 g/mol. Its IUPAC name is 3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]benzamide.

Molecular Properties

Compound Name3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]benzamide
PubChem CID162722309
Molecular FormulaC20H15F2N5O2
Molecular Weight395.37 g/mol
Exact Mass395.12
IUPAC Name3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]benzamide
SMILESNC(=O)c1cccc(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)cn2)c1
InChIInChI=1S/C20H15F2N5O2/c21-17(22)20-26-25-19(29-20)13-6-4-12(5-7-13)9-27-10-16(24-11-27)14-2-1-3-15(8-14)18(23)28/h1-8,10-11,17H,9H2,(H2,23,28)
InChIKeyUDDRBLHTSSBYHN-UHFFFAOYSA-N
XLogP3.68
TPSA99.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]benzamide?
The IUPAC name of 3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]benzamide (CID 162722309) is 3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]benzamide.
What is the SMILES notation for 3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]benzamide?
The canonical SMILES for 3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]benzamide is NC(=O)c1cccc(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)cn2)c1.
What is the InChIKey of 3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]benzamide?
The InChIKey is UDDRBLHTSSBYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5O2/c21-17(22)20-26-25-19(29-20)13-6-4-12(5-7-13)9-27-10-16(24-11-27)14-2-1-3-15(8-14)18(23)28/h1-8,10-11,17H,9H2,(H2,23,28).
What are the key properties of 3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]benzamide?
3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]benzamide has a molecular weight of 395.37 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]benzamide is sourced from PubChem (CID 162722309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).