1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-amine

C11H10F3N3 — CID 60861273

IUPAC1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
SMILESNc1nccn1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H10F3N3/c12-11(13,14)9-3-1-2-8(6-9)7-17-5-4-16-10(17)15/h1-6H,7H2,(H2,15,16)
InChIKeyZRPDWYFOBJITDJ-UHFFFAOYSA-N
MW241.22 g/mol
LogP2.53
Rot. Bonds2

About 1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-amine

1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-amine (PubChem CID 60861273) has the molecular formula C11H10F3N3 and a molecular weight of 241.22 g/mol. Its IUPAC name is 1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-amine.

Molecular Properties

Compound Name1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
PubChem CID60861273
Molecular FormulaC11H10F3N3
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
SMILESNc1nccn1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H10F3N3/c12-11(13,14)9-3-1-2-8(6-9)7-17-5-4-16-10(17)15/h1-6H,7H2,(H2,15,16)
InChIKeyZRPDWYFOBJITDJ-UHFFFAOYSA-N
XLogP2.53
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole
CID 63811781
1-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]propan-2-amine
CID 63095821
2-ethyl-5-methyl-4-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]-1H-imidazole
CID 56741267
1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-amine
CID 129205660
2-methyl-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]methyl]imidazole
CID 155942479
3-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]aniline
CID 82558720
1-[(3,5-dichlorophenyl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole
CID 11949842
3-[[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenol
CID 82560734
4-iodo-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole
CID 90149446
4-[2-(2-methylimidazol-1-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 74244860
2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 121010377
N-[(1-propylimidazol-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 62955935

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-amine?
The IUPAC name of 1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-amine (CID 60861273) is 1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-amine.
What is the SMILES notation for 1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-amine?
The canonical SMILES for 1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-amine is Nc1nccn1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-amine?
The InChIKey is ZRPDWYFOBJITDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3/c12-11(13,14)9-3-1-2-8(6-9)7-17-5-4-16-10(17)15/h1-6H,7H2,(H2,15,16).
What are the key properties of 1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-amine?
1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-amine has a molecular weight of 241.22 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-amine is sourced from PubChem (CID 60861273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).