1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-amine

C11H10F3N3 — CID 129205660

IUPAC1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-amine
SMILESNc1cn(Cc2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C11H10F3N3/c12-11(13,14)9-3-1-2-8(4-9)5-17-6-10(15)16-7-17/h1-4,6-7H,5,15H2
InChIKeyJYEDBLYAFFLRCM-UHFFFAOYSA-N
MW241.22 g/mol
LogP2.53
Rot. Bonds2

About 1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-amine

1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-amine (PubChem CID 129205660) has the molecular formula C11H10F3N3 and a molecular weight of 241.22 g/mol. Its IUPAC name is 1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-amine.

Molecular Properties

Compound Name1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-amine
PubChem CID129205660
Molecular FormulaC11H10F3N3
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-amine
SMILESNc1cn(Cc2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C11H10F3N3/c12-11(13,14)9-3-1-2-8(4-9)5-17-6-10(15)16-7-17/h1-4,6-7H,5,15H2
InChIKeyJYEDBLYAFFLRCM-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

Analyze 1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-iodo-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole
CID 90149446
1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxylic acid
CID 86277033
1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
CID 60861273
2-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 175947933
1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole
CID 23274336
1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-1-ium bromide
CID 86655189
2-(hydroxymethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-1,3-thiazole-5-carboxamide
CID 129205666
4-iodo-3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
CID 79785518
3,5-dibromo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
CID 114692714
N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide
CID 134518216
1-[[3-(trifluoromethyl)phenyl]methyl]azetidine-3-thiol
CID 86226767
6-chloro-5-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide
CID 129233123

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-amine?
The IUPAC name of 1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-amine (CID 129205660) is 1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-amine.
What is the SMILES notation for 1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-amine?
The canonical SMILES for 1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-amine is Nc1cn(Cc2cccc(C(F)(F)F)c2)cn1.
What is the InChIKey of 1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-amine?
The InChIKey is JYEDBLYAFFLRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3/c12-11(13,14)9-3-1-2-8(4-9)5-17-6-10(15)16-7-17/h1-4,6-7H,5,15H2.
What are the key properties of 1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-amine?
1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-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-4-amine is sourced from PubChem (CID 129205660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).