N-methyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]aniline

C17H16F3N3 — CID 75398519

IUPACN-methyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]aniline
SMILESCN(Cc1nc2cc(C(F)(F)F)ccc2n1C)c1ccccc1
InChIInChI=1S/C17H16F3N3/c1-22(13-6-4-3-5-7-13)11-16-21-14-10-12(17(18,19)20)8-9-15(14)23(16)2/h3-10H,11H2,1-2H3
InChIKeyIWRAODDVXGFRRT-UHFFFAOYSA-N
MW319.33 g/mol
LogP4.23
Rot. Bonds3

About N-methyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]aniline

N-methyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]aniline (PubChem CID 75398519) has the molecular formula C17H16F3N3 and a molecular weight of 319.33 g/mol. Its IUPAC name is N-methyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]aniline.

Molecular Properties

Compound NameN-methyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]aniline
PubChem CID75398519
Molecular FormulaC17H16F3N3
Molecular Weight319.33 g/mol
Exact Mass319.13
IUPAC NameN-methyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]aniline
SMILESCN(Cc1nc2cc(C(F)(F)F)ccc2n1C)c1ccccc1
InChIInChI=1S/C17H16F3N3/c1-22(13-6-4-3-5-7-13)11-16-21-14-10-12(17(18,19)20)8-9-15(14)23(16)2/h3-10H,11H2,1-2H3
InChIKeyIWRAODDVXGFRRT-UHFFFAOYSA-N
XLogP4.23
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 46310390
2-[(dimethylsulfamoylamino)methyl]-1-methyl-5-(trifluoromethyl)benzimidazole
CID 131948620
(1S,5S,6R)-N,7,7-trimethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 99627431
N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]cyclopropanamine
CID 80711654
N-[2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethyl]cyclopropanamine
CID 81455530
2-[(4-carbamimidoyl-N-methylanilino)methyl]-1-methylbenzimidazole-5-carboxylic acid
CID 141031470
1-methyl-2-methylsulfanyl-5-(trifluoromethyl)benzimidazole
CID 134095240
1,2-dibenzyl-5-(trifluoromethyl)benzimidazole
CID 46310965
2-[2-benzyl-5-(trifluoromethyl)benzimidazol-1-yl]ethanol
CID 46308123
3,3-dimethyl-1-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]piperidin-4-amine
CID 120782241
2-phenyl-1-propyl-5-(trifluoromethyl)benzimidazole
CID 46310703
2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetic acid
CID 84617334

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]aniline?
The IUPAC name of N-methyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]aniline (CID 75398519) is N-methyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]aniline.
What is the SMILES notation for N-methyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]aniline?
The canonical SMILES for N-methyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]aniline is CN(Cc1nc2cc(C(F)(F)F)ccc2n1C)c1ccccc1.
What is the InChIKey of N-methyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]aniline?
The InChIKey is IWRAODDVXGFRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3/c1-22(13-6-4-3-5-7-13)11-16-21-14-10-12(17(18,19)20)8-9-15(14)23(16)2/h3-10H,11H2,1-2H3.
What are the key properties of N-methyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]aniline?
N-methyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]aniline has a molecular weight of 319.33 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]aniline is sourced from PubChem (CID 75398519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).