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

C19H14F2N6O2 — CID 162722912

IUPAC3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]imidazol-4-yl]benzamide
SMILESNC(=O)c1cccc(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)cn3)cn2)c1
InChIInChI=1S/C19H14F2N6O2/c20-16(21)19-26-25-18(29-19)13-4-5-14(23-7-13)8-27-9-15(24-10-27)11-2-1-3-12(6-11)17(22)28/h1-7,9-10,16H,8H2,(H2,22,28)
InChIKeyKBDGSFKXYIHWKU-UHFFFAOYSA-N
MW396.36 g/mol
LogP3.08
Rot. Bonds6

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

3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]imidazol-4-yl]benzamide (PubChem CID 162722912) has the molecular formula C19H14F2N6O2 and a molecular weight of 396.36 g/mol. Its IUPAC name is 3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]imidazol-4-yl]benzamide.

Molecular Properties

Compound Name3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]imidazol-4-yl]benzamide
PubChem CID162722912
Molecular FormulaC19H14F2N6O2
Molecular Weight396.36 g/mol
Exact Mass396.11
IUPAC Name3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]imidazol-4-yl]benzamide
SMILESNC(=O)c1cccc(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)cn3)cn2)c1
InChIInChI=1S/C19H14F2N6O2/c20-16(21)19-26-25-18(29-19)13-4-5-14(23-7-13)8-27-9-15(24-10-27)11-2-1-3-12(6-11)17(22)28/h1-7,9-10,16H,8H2,(H2,22,28)
InChIKeyKBDGSFKXYIHWKU-UHFFFAOYSA-N
XLogP3.08
TPSA112.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]imidazol-4-yl]benzamide?
The IUPAC name of 3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]imidazol-4-yl]benzamide (CID 162722912) is 3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]imidazol-4-yl]benzamide.
What is the SMILES notation for 3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]imidazol-4-yl]benzamide?
The canonical SMILES for 3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]imidazol-4-yl]benzamide is NC(=O)c1cccc(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)cn3)cn2)c1.
What is the InChIKey of 3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]imidazol-4-yl]benzamide?
The InChIKey is KBDGSFKXYIHWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N6O2/c20-16(21)19-26-25-18(29-19)13-4-5-14(23-7-13)8-27-9-15(24-10-27)11-2-1-3-12(6-11)17(22)28/h1-7,9-10,16H,8H2,(H2,22,28).
What are the key properties of 3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]imidazol-4-yl]benzamide?
3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]imidazol-4-yl]benzamide has a molecular weight of 396.36 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]imidazol-4-yl]benzamide is sourced from PubChem (CID 162722912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).