N-(1,2,2-trifluoro-1-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine

C11H12F3N3 — CID 70552248

IUPACN-(1,2,2-trifluoro-1-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESFC(F)C(F)(NC1=NCCN1)c1ccccc1
InChIInChI=1S/C11H12F3N3/c12-9(13)11(14,8-4-2-1-3-5-8)17-10-15-6-7-16-10/h1-5,9H,6-7H2,(H2,15,16,17)
InChIKeyHKBHQSCTMOPXSF-UHFFFAOYSA-N
MW243.23 g/mol
LogP1.62
Rot. Bonds3

About N-(1,2,2-trifluoro-1-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine

N-(1,2,2-trifluoro-1-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 70552248) has the molecular formula C11H12F3N3 and a molecular weight of 243.23 g/mol. Its IUPAC name is N-(1,2,2-trifluoro-1-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(1,2,2-trifluoro-1-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID70552248
Molecular FormulaC11H12F3N3
Molecular Weight243.23 g/mol
Exact Mass243.10
IUPAC NameN-(1,2,2-trifluoro-1-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESFC(F)C(F)(NC1=NCCN1)c1ccccc1
InChIInChI=1S/C11H12F3N3/c12-9(13)11(14,8-4-2-1-3-5-8)17-10-15-6-7-16-10/h1-5,9H,6-7H2,(H2,15,16,17)
InChIKeyHKBHQSCTMOPXSF-UHFFFAOYSA-N
XLogP1.62
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze N-(1,2,2-trifluoro-1-phenylethyl)-4,5-dihydro-1H-imidazol-2-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

Bethanidine
CID 2368
2-[4-(Trifluoromethyl)phenyl]-1-imidazoline
CID 11241345
1H-Imidazol-2-amine, 4,5-dihydro-4-phenyl-
CID 11298130
2-(3-fluorophenyl)-4,5-dihydro-1H-Imidazole
CID 21819953
1-[2-(3-Fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine
CID 135386427
(4R,5S)-N-[(3-fluorophenyl)methyl]-4,5-diphenylimidazolidin-2-imine
CID 135448190
(4S,5R)-4,5-bis(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]imidazolidin-2-imine
CID 135458217
Deximafen
CID 163316
2-(2-fluorophenyl)-4,5-dihydro-1H-Imidazole
CID 12191520
2-(3,5-difluorophenyl)-4,5-dihydro-1H-imidazole
CID 44269103
N-pentyl-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine
CID 44337515
2-Benzhydryliminoimidazolidine
CID 12503392

Frequently Asked Questions

What is the IUPAC name of N-(1,2,2-trifluoro-1-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(1,2,2-trifluoro-1-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine (CID 70552248) is N-(1,2,2-trifluoro-1-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(1,2,2-trifluoro-1-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(1,2,2-trifluoro-1-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine is FC(F)C(F)(NC1=NCCN1)c1ccccc1.
What is the InChIKey of N-(1,2,2-trifluoro-1-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is HKBHQSCTMOPXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3/c12-9(13)11(14,8-4-2-1-3-5-8)17-10-15-6-7-16-10/h1-5,9H,6-7H2,(H2,15,16,17).
What are the key properties of N-(1,2,2-trifluoro-1-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine?
N-(1,2,2-trifluoro-1-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 243.23 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,2-trifluoro-1-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 70552248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).