N-(1H-imidazol-5-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline

C12H12F3N3 — CID 66479341

IUPACN-(1H-imidazol-5-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline
SMILESCc1ccc(C(F)(F)F)cc1NCc1cnc[nH]1
InChIInChI=1S/C12H12F3N3/c1-8-2-3-9(12(13,14)15)4-11(8)17-6-10-5-16-7-18-10/h2-5,7,17H,6H2,1H3,(H,16,18)
InChIKeyJFLJUGDGRICLQZ-UHFFFAOYSA-N
MW255.24 g/mol
LogP3.35
Rot. Bonds3

About N-(1H-imidazol-5-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline

N-(1H-imidazol-5-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline (PubChem CID 66479341) has the molecular formula C12H12F3N3 and a molecular weight of 255.24 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline
PubChem CID66479341
Molecular FormulaC12H12F3N3
Molecular Weight255.24 g/mol
Exact Mass255.10
IUPAC NameN-(1H-imidazol-5-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline
SMILESCc1ccc(C(F)(F)F)cc1NCc1cnc[nH]1
InChIInChI=1S/C12H12F3N3/c1-8-2-3-9(12(13,14)15)4-11(8)17-6-10-5-16-7-18-10/h2-5,7,17H,6H2,1H3,(H,16,18)
InChIKeyJFLJUGDGRICLQZ-UHFFFAOYSA-N
XLogP3.35
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(pyridin-4-ylmethyl)-5-(trifluoromethyl)aniline
CID 66478762
3-(1H-imidazol-5-ylmethylamino)-N,4-dimethylbenzamide
CID 55109073
N-(1H-imidazol-5-ylmethyl)-2-(trifluoromethyl)aniline
CID 62762264
2-methyl-N-[(5-methyl-2-pyridinyl)methyl]-5-(trifluoromethyl)aniline
CID 81313173
N-ethyl-2-methyl-5-(trifluoromethyl)aniline
CID 66480929
N-(1H-imidazol-5-ylmethyl)-2,3-dimethylaniline
CID 13178310
3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-methylaniline
CID 62762313
N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline
CID 66480538
2-methyl-N-(thiadiazol-4-ylmethyl)-5-(trifluoromethyl)aniline
CID 66478947
N-(furan-2-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline
CID 66478739
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline
CID 66480735
(2S)-1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 106932273

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline (CID 66479341) is N-(1H-imidazol-5-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline is Cc1ccc(C(F)(F)F)cc1NCc1cnc[nH]1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline?
The InChIKey is JFLJUGDGRICLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3/c1-8-2-3-9(12(13,14)15)4-11(8)17-6-10-5-16-7-18-10/h2-5,7,17H,6H2,1H3,(H,16,18).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline?
N-(1H-imidazol-5-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline has a molecular weight of 255.24 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline is sourced from PubChem (CID 66479341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).