N,1-dimethyl-2-(trifluoromethyl)benzimidazol-5-amine;ethane;oxane

C17H26F3N3O — CID 143203897

IUPACN,1-dimethyl-2-(trifluoromethyl)benzimidazol-5-amine;ethane;oxane
SMILESC1CCOCC1.CC.CNc1ccc2c(c1)nc(C(F)(F)F)n2C
InChIInChI=1S/C10H10F3N3.C5H10O.C2H6/c1-14-6-3-4-8-7(5-6)15-9(16(8)2)10(11,12)13;1-2-4-6-5-3-1;1-2/h3-5,14H,1-2H3;1-5H2;1-2H3
InChIKeyOBTUCTSEYPISAT-UHFFFAOYSA-N
MW345.41 g/mol
LogP4.85
Rot. Bonds1

About N,1-dimethyl-2-(trifluoromethyl)benzimidazol-5-amine;ethane;oxane

N,1-dimethyl-2-(trifluoromethyl)benzimidazol-5-amine;ethane;oxane (PubChem CID 143203897) has the molecular formula C17H26F3N3O and a molecular weight of 345.41 g/mol. Its IUPAC name is N,1-dimethyl-2-(trifluoromethyl)benzimidazol-5-amine;ethane;oxane.

Molecular Properties

Compound NameN,1-dimethyl-2-(trifluoromethyl)benzimidazol-5-amine;ethane;oxane
PubChem CID143203897
Molecular FormulaC17H26F3N3O
Molecular Weight345.41 g/mol
Exact Mass345.20
IUPAC NameN,1-dimethyl-2-(trifluoromethyl)benzimidazol-5-amine;ethane;oxane
SMILESC1CCOCC1.CC.CNc1ccc2c(c1)nc(C(F)(F)F)n2C
InChIInChI=1S/C10H10F3N3.C5H10O.C2H6/c1-14-6-3-4-8-7(5-6)15-9(16(8)2)10(11,12)13;1-2-4-6-5-3-1;1-2/h3-5,14H,1-2H3;1-5H2;1-2H3
InChIKeyOBTUCTSEYPISAT-UHFFFAOYSA-N
XLogP4.85
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(oxan-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-amine;N-methyl-N-[1-(oxan-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-yl]acetamide
CID 159468711
N-methyl-1-(2-methylbutyl)-2-(trifluoromethyl)benzimidazol-5-amine
CID 143204096
3-(2,6-dioxo-1,3-diazinan-1-yl)-N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]propanamide
CID 46974444
N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 46978274
2-(3,5-dimethylpyrazol-1-yl)-N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]propanamide
CID 46974394
2-tert-butyl-1-ethyl-N-methylbenzimidazol-5-amine
CID 143022253
1-(2-tert-butyl-1-methylbenzimidazol-5-yl)cyclohexan-1-amine
CID 117459990
6-chloro-1-methyl-2-(trifluoromethyl)benzimidazole
CID 10331616
2-tert-butyl-1-methyl-N-pyrimidin-2-ylbenzimidazol-5-amine
CID 133406780
N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N-methylacetamide;2-tert-butyl-1-(cyclohexylmethyl)-N-methylbenzimidazol-5-amine
CID 159730971
2-tert-butyl-N-methyl-1-(3-methylpentyl)benzimidazol-5-amine
CID 143022115
2-tert-butyl-1-methyl-N,N-dipropylbenzimidazol-5-amine
CID 58492649

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-2-(trifluoromethyl)benzimidazol-5-amine;ethane;oxane?
The IUPAC name of N,1-dimethyl-2-(trifluoromethyl)benzimidazol-5-amine;ethane;oxane (CID 143203897) is N,1-dimethyl-2-(trifluoromethyl)benzimidazol-5-amine;ethane;oxane.
What is the SMILES notation for N,1-dimethyl-2-(trifluoromethyl)benzimidazol-5-amine;ethane;oxane?
The canonical SMILES for N,1-dimethyl-2-(trifluoromethyl)benzimidazol-5-amine;ethane;oxane is C1CCOCC1.CC.CNc1ccc2c(c1)nc(C(F)(F)F)n2C.
What is the InChIKey of N,1-dimethyl-2-(trifluoromethyl)benzimidazol-5-amine;ethane;oxane?
The InChIKey is OBTUCTSEYPISAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3.C5H10O.C2H6/c1-14-6-3-4-8-7(5-6)15-9(16(8)2)10(11,12)13;1-2-4-6-5-3-1;1-2/h3-5,14H,1-2H3;1-5H2;1-2H3.
What are the key properties of N,1-dimethyl-2-(trifluoromethyl)benzimidazol-5-amine;ethane;oxane?
N,1-dimethyl-2-(trifluoromethyl)benzimidazol-5-amine;ethane;oxane has a molecular weight of 345.41 g/mol, XLogP of 4.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-2-(trifluoromethyl)benzimidazol-5-amine;ethane;oxane is sourced from PubChem (CID 143203897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).