5-methyl-N-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-1,3,4-oxadiazol-2-amine

C12H10F3N5O — CID 134297226

IUPAC5-methyl-N-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-1,3,4-oxadiazol-2-amine
SMILESCc1nnc(Nc2nc3ccc(C(F)(F)F)cc3n2C)o1
InChIInChI=1S/C12H10F3N5O/c1-6-18-19-11(21-6)17-10-16-8-4-3-7(12(13,14)15)5-9(8)20(10)2/h3-5H,1-2H3,(H,16,17,19)
InChIKeyDLOWNCOTTYRLPW-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.03
Rot. Bonds2

About 5-methyl-N-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-1,3,4-oxadiazol-2-amine

5-methyl-N-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-1,3,4-oxadiazol-2-amine (PubChem CID 134297226) has the molecular formula C12H10F3N5O and a molecular weight of 297.24 g/mol. Its IUPAC name is 5-methyl-N-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-1,3,4-oxadiazol-2-amine
PubChem CID134297226
Molecular FormulaC12H10F3N5O
Molecular Weight297.24 g/mol
Exact Mass297.08
IUPAC Name5-methyl-N-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-1,3,4-oxadiazol-2-amine
SMILESCc1nnc(Nc2nc3ccc(C(F)(F)F)cc3n2C)o1
InChIInChI=1S/C12H10F3N5O/c1-6-18-19-11(21-6)17-10-16-8-4-3-7(12(13,14)15)5-9(8)20(10)2/h3-5H,1-2H3,(H,16,17,19)
InChIKeyDLOWNCOTTYRLPW-UHFFFAOYSA-N
XLogP3.03
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-3-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-2H-1,3,4-oxadiazole
CID 138692158
[1-propan-2-yl-6-(trifluoromethyl)benzimidazol-2-yl]hydrazine
CID 115059612
N-(1,5-dimethylbenzimidazol-2-yl)-6-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 134445468
ethane;9-methyl-2,7-bis(trifluoromethyl)carbazole
CID 142508322
6-tert-butyl-1,2-dimethylbenzimidazole
CID 70331345
[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]hydrazine
CID 115059614
4-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 71059782
ethyl 2-[2-[[1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carbonyl]amino]ethoxy]acetate
CID 155083820
N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine
CID 134297222
2-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole
CID 169166506

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-methyl-N-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-1,3,4-oxadiazol-2-amine (CID 134297226) is 5-methyl-N-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-methyl-N-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-1,3,4-oxadiazol-2-amine is Cc1nnc(Nc2nc3ccc(C(F)(F)F)cc3n2C)o1.
What is the InChIKey of 5-methyl-N-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-1,3,4-oxadiazol-2-amine?
The InChIKey is DLOWNCOTTYRLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N5O/c1-6-18-19-11(21-6)17-10-16-8-4-3-7(12(13,14)15)5-9(8)20(10)2/h3-5H,1-2H3,(H,16,17,19).
What are the key properties of 5-methyl-N-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-1,3,4-oxadiazol-2-amine?
5-methyl-N-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-1,3,4-oxadiazol-2-amine has a molecular weight of 297.24 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 134297226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).