2-(2-fluoro-4-trityl-1H-imidazol-5-yl)ethanamine

C24H22FN3 — CID 70554093

IUPAC2-(2-fluoro-4-trityl-1H-imidazol-5-yl)ethanamine
SMILESNCCc1[nH]c(F)nc1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22FN3/c25-23-27-21(16-17-26)22(28-23)24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17,26H2,(H,27,28)
InChIKeyXYZZBJJZYPJABQ-UHFFFAOYSA-N
MW371.46 g/mol
LogP4.43
Rot. Bonds6

About 2-(2-fluoro-4-trityl-1H-imidazol-5-yl)ethanamine

2-(2-fluoro-4-trityl-1H-imidazol-5-yl)ethanamine (PubChem CID 70554093) has the molecular formula C24H22FN3 and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-(2-fluoro-4-trityl-1H-imidazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2-fluoro-4-trityl-1H-imidazol-5-yl)ethanamine
PubChem CID70554093
Molecular FormulaC24H22FN3
Molecular Weight371.46 g/mol
Exact Mass371.18
IUPAC Name2-(2-fluoro-4-trityl-1H-imidazol-5-yl)ethanamine
SMILESNCCc1[nH]c(F)nc1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22FN3/c25-23-27-21(16-17-26)22(28-23)24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17,26H2,(H,27,28)
InChIKeyXYZZBJJZYPJABQ-UHFFFAOYSA-N
XLogP4.43
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2-(2-fluoro-4-trityl-1H-imidazol-5-yl)ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-trityl-1H-imidazol-5-yl)ethanamine?
The IUPAC name of 2-(2-fluoro-4-trityl-1H-imidazol-5-yl)ethanamine (CID 70554093) is 2-(2-fluoro-4-trityl-1H-imidazol-5-yl)ethanamine.
What is the SMILES notation for 2-(2-fluoro-4-trityl-1H-imidazol-5-yl)ethanamine?
The canonical SMILES for 2-(2-fluoro-4-trityl-1H-imidazol-5-yl)ethanamine is NCCc1[nH]c(F)nc1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-fluoro-4-trityl-1H-imidazol-5-yl)ethanamine?
The InChIKey is XYZZBJJZYPJABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3/c25-23-27-21(16-17-26)22(28-23)24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17,26H2,(H,27,28).
What are the key properties of 2-(2-fluoro-4-trityl-1H-imidazol-5-yl)ethanamine?
2-(2-fluoro-4-trityl-1H-imidazol-5-yl)ethanamine has a molecular weight of 371.46 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-trityl-1H-imidazol-5-yl)ethanamine is sourced from PubChem (CID 70554093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).