1-[2-(benzimidazol-1-yl)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one

C17H12F3N5O2 — CID 145423125

IUPAC1-[2-(benzimidazol-1-yl)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
SMILESO=c1cc(-c2noc(C(F)(F)F)n2)ccn1CCn1cnc2ccccc21
InChIInChI=1S/C17H12F3N5O2/c18-17(19,20)16-22-15(23-27-16)11-5-6-24(14(26)9-11)7-8-25-10-21-12-3-1-2-4-13(12)25/h1-6,9-10H,7-8H2
InChIKeyRHBLUWYGTYWWTI-UHFFFAOYSA-N
MW375.31 g/mol
LogP2.97
Rot. Bonds4

About 1-[2-(benzimidazol-1-yl)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one

1-[2-(benzimidazol-1-yl)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one (PubChem CID 145423125) has the molecular formula C17H12F3N5O2 and a molecular weight of 375.31 g/mol. Its IUPAC name is 1-[2-(benzimidazol-1-yl)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(benzimidazol-1-yl)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
PubChem CID145423125
Molecular FormulaC17H12F3N5O2
Molecular Weight375.31 g/mol
Exact Mass375.09
IUPAC Name1-[2-(benzimidazol-1-yl)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
SMILESO=c1cc(-c2noc(C(F)(F)F)n2)ccn1CCn1cnc2ccccc21
InChIInChI=1S/C17H12F3N5O2/c18-17(19,20)16-22-15(23-27-16)11-5-6-24(14(26)9-11)7-8-25-10-21-12-3-1-2-4-13(12)25/h1-6,9-10H,7-8H2
InChIKeyRHBLUWYGTYWWTI-UHFFFAOYSA-N
XLogP2.97
TPSA78.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[2-(benzimidazol-1-yl)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

3-[4-(benzimidazol-1-ylmethyl)-3-chlorophenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 139532718
1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
CID 145423118
1-[(3,5-dimethoxyphenyl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
CID 145423086
1-[(2-propan-2-yl-2,3-dihydro-1,3,4-oxadiazol-5-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
CID 145423082
[2-[2-oxo-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethyl] N-ethylcarbamate
CID 145423147
1-[3-morpholin-4-yl-3-oxo-2-[3-(trifluoromethyl)phenyl]propyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
CID 147042694
3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 90464045
1-(6-chlorohexyl)benzimidazole
CID 62228178
2-(benzimidazol-1-yl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]ethanesulfonamide
CID 155951162
3-[4-[(4,5-dichloroimidazol-1-yl)methyl]-3-fluorophenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 139532712
5-(2-fluorophenyl)-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030953
2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzaldehyde
CID 129270584

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzimidazol-1-yl)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one?
The IUPAC name of 1-[2-(benzimidazol-1-yl)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one (CID 145423125) is 1-[2-(benzimidazol-1-yl)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one.
What is the SMILES notation for 1-[2-(benzimidazol-1-yl)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one?
The canonical SMILES for 1-[2-(benzimidazol-1-yl)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one is O=c1cc(-c2noc(C(F)(F)F)n2)ccn1CCn1cnc2ccccc21.
What is the InChIKey of 1-[2-(benzimidazol-1-yl)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one?
The InChIKey is RHBLUWYGTYWWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5O2/c18-17(19,20)16-22-15(23-27-16)11-5-6-24(14(26)9-11)7-8-25-10-21-12-3-1-2-4-13(12)25/h1-6,9-10H,7-8H2.
What are the key properties of 1-[2-(benzimidazol-1-yl)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one?
1-[2-(benzimidazol-1-yl)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one has a molecular weight of 375.31 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzimidazol-1-yl)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one is sourced from PubChem (CID 145423125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).