5-methyl-3-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-2H-1,3,4-oxadiazole

C12H11F3N4O — CID 138692158

IUPAC5-methyl-3-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-2H-1,3,4-oxadiazole
SMILESCC1=NN(c2nc3ccc(C(F)(F)F)cc3n2C)CO1
InChIInChI=1S/C12H11F3N4O/c1-7-17-19(6-20-7)11-16-9-4-3-8(12(13,14)15)5-10(9)18(11)2/h3-5H,6H2,1-2H3
InChIKeyRLCUGJIXERRAAX-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.72
Rot. Bonds1

About 5-methyl-3-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-2H-1,3,4-oxadiazole

5-methyl-3-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-2H-1,3,4-oxadiazole (PubChem CID 138692158) has the molecular formula C12H11F3N4O and a molecular weight of 284.24 g/mol. Its IUPAC name is 5-methyl-3-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-2H-1,3,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-2H-1,3,4-oxadiazole
PubChem CID138692158
Molecular FormulaC12H11F3N4O
Molecular Weight284.24 g/mol
Exact Mass284.09
IUPAC Name5-methyl-3-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-2H-1,3,4-oxadiazole
SMILESCC1=NN(c2nc3ccc(C(F)(F)F)cc3n2C)CO1
InChIInChI=1S/C12H11F3N4O/c1-7-17-19(6-20-7)11-16-9-4-3-8(12(13,14)15)5-10(9)18(11)2/h3-5H,6H2,1-2H3
InChIKeyRLCUGJIXERRAAX-UHFFFAOYSA-N
XLogP2.72
TPSA42.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-1-methyl-6-(trifluoromethyl)benzimidazole
CID 156865270
1-methyl-2-pyridin-4-yl-6-(trifluoromethyl)benzimidazole
CID 66614356
5-methyl-N-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-1,3,4-oxadiazol-2-amine
CID 134297226
6-tert-butyl-1,2-dimethylbenzimidazole
CID 70331345
ethane;9-methyl-2,7-bis(trifluoromethyl)carbazole
CID 142508322
4-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 71059782
tert-butyl N-[(S)-cyclopropyl-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]carbamate
CID 171608026
N-[(S)-cyclopropyl-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]-5-methylpyrazine-2-carboxamide
CID 171535023
4,5-dimethyl-6-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-2-carboxamide
CID 170367077
2-chloro-5-[1-dodecyl-6-(trifluoromethyl)benzimidazol-2-yl]aniline
CID 23460571
tert-butyl N-[2-cyclopropyl-2-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]ethylidene]carbamate
CID 171534993
3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2H-1,3,4-oxadiazole
CID 134284036

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-2H-1,3,4-oxadiazole?
The IUPAC name of 5-methyl-3-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-2H-1,3,4-oxadiazole (CID 138692158) is 5-methyl-3-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-2H-1,3,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-2H-1,3,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-2H-1,3,4-oxadiazole is CC1=NN(c2nc3ccc(C(F)(F)F)cc3n2C)CO1.
What is the InChIKey of 5-methyl-3-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-2H-1,3,4-oxadiazole?
The InChIKey is RLCUGJIXERRAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O/c1-7-17-19(6-20-7)11-16-9-4-3-8(12(13,14)15)5-10(9)18(11)2/h3-5H,6H2,1-2H3.
What are the key properties of 5-methyl-3-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-2H-1,3,4-oxadiazole?
5-methyl-3-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-2H-1,3,4-oxadiazole has a molecular weight of 284.24 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-2H-1,3,4-oxadiazole is sourced from PubChem (CID 138692158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).