N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-4H-imidazol-2-amine

C12H12F3N3 — CID 130433561

IUPACN-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-4H-imidazol-2-amine
SMILESCc1ccc(CNC2=NCC=N2)cc1C(F)(F)F
InChIInChI=1S/C12H12F3N3/c1-8-2-3-9(6-10(8)12(13,14)15)7-18-11-16-4-5-17-11/h2-4,6H,5,7H2,1H3,(H,17,18)
InChIKeyAZEWYIMZNIAIME-UHFFFAOYSA-N
MW255.24 g/mol
LogP2.54
Rot. Bonds2

About N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-4H-imidazol-2-amine

N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-4H-imidazol-2-amine (PubChem CID 130433561) has the molecular formula C12H12F3N3 and a molecular weight of 255.24 g/mol. Its IUPAC name is N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-4H-imidazol-2-amine.

Molecular Properties

Compound NameN-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-4H-imidazol-2-amine
PubChem CID130433561
Molecular FormulaC12H12F3N3
Molecular Weight255.24 g/mol
Exact Mass255.10
IUPAC NameN-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-4H-imidazol-2-amine
SMILESCc1ccc(CNC2=NCC=N2)cc1C(F)(F)F
InChIInChI=1S/C12H12F3N3/c1-8-2-3-9(6-10(8)12(13,14)15)7-18-11-16-4-5-17-11/h2-4,6H,5,7H2,1H3,(H,17,18)
InChIKeyAZEWYIMZNIAIME-UHFFFAOYSA-N
XLogP2.54
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1H-inden-5-ylmethyl)-2,3-dimethylguanidine
CID 86777116
N-[4,5-dihydro-1H-imidazol-2-yl-(2,3-dimethylphenyl)methyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 19889652
4,5-dihydro-1H-imidazol-2-yl-[2-methyl-3-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 19889728
4,5-dihydro-1H-imidazol-2-yl-[2-methyl-3-(trifluoromethyl)phenyl]methanamine
CID 19889729
N-[[2-[3-(trifluoromethyl)phenyl]phenyl]methyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 20370788
N-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]methanamine
CID 20709349
N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 44538682
1-[(3,5-Difluoro-4-methylphenyl)methyl]-2-methylguanidine
CID 90452331
1-[(2,4-Difluoro-3-methylphenyl)methyl]-2-methylguanidine
CID 90452333
2-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1H-imidazole
CID 91217772
2-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-imidazole
CID 91318214
2-[2-(trifluoromethyl)phenyl]-2,5-dihydro-1H-imidazole
CID 91454090

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-4H-imidazol-2-amine?
The IUPAC name of N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-4H-imidazol-2-amine (CID 130433561) is N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-4H-imidazol-2-amine.
What is the SMILES notation for N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-4H-imidazol-2-amine?
The canonical SMILES for N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-4H-imidazol-2-amine is Cc1ccc(CNC2=NCC=N2)cc1C(F)(F)F.
What is the InChIKey of N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-4H-imidazol-2-amine?
The InChIKey is AZEWYIMZNIAIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3/c1-8-2-3-9(6-10(8)12(13,14)15)7-18-11-16-4-5-17-11/h2-4,6H,5,7H2,1H3,(H,17,18).
What are the key properties of N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-4H-imidazol-2-amine?
N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-4H-imidazol-2-amine has a molecular weight of 255.24 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-4H-imidazol-2-amine is sourced from PubChem (CID 130433561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).