3-(2-fluoro-4-trityl-1H-imidazol-5-yl)propan-1-amine

C25H24FN3 — CID 70525868

IUPAC3-(2-fluoro-4-trityl-1H-imidazol-5-yl)propan-1-amine
SMILESNCCCc1[nH]c(F)nc1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24FN3/c26-24-28-22(17-10-18-27)23(29-24)25(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16H,10,17-18,27H2,(H,28,29)
InChIKeyNCEQPTOZOXFXOZ-UHFFFAOYSA-N
MW385.49 g/mol
LogP4.82
Rot. Bonds7

About 3-(2-fluoro-4-trityl-1H-imidazol-5-yl)propan-1-amine

3-(2-fluoro-4-trityl-1H-imidazol-5-yl)propan-1-amine (PubChem CID 70525868) has the molecular formula C25H24FN3 and a molecular weight of 385.49 g/mol. Its IUPAC name is 3-(2-fluoro-4-trityl-1H-imidazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2-fluoro-4-trityl-1H-imidazol-5-yl)propan-1-amine
PubChem CID70525868
Molecular FormulaC25H24FN3
Molecular Weight385.49 g/mol
Exact Mass385.20
IUPAC Name3-(2-fluoro-4-trityl-1H-imidazol-5-yl)propan-1-amine
SMILESNCCCc1[nH]c(F)nc1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24FN3/c26-24-28-22(17-10-18-27)23(29-24)25(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16H,10,17-18,27H2,(H,28,29)
InChIKeyNCEQPTOZOXFXOZ-UHFFFAOYSA-N
XLogP4.82
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-trityl-1H-imidazol-5-yl)propan-1-amine?
The IUPAC name of 3-(2-fluoro-4-trityl-1H-imidazol-5-yl)propan-1-amine (CID 70525868) is 3-(2-fluoro-4-trityl-1H-imidazol-5-yl)propan-1-amine.
What is the SMILES notation for 3-(2-fluoro-4-trityl-1H-imidazol-5-yl)propan-1-amine?
The canonical SMILES for 3-(2-fluoro-4-trityl-1H-imidazol-5-yl)propan-1-amine is NCCCc1[nH]c(F)nc1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(2-fluoro-4-trityl-1H-imidazol-5-yl)propan-1-amine?
The InChIKey is NCEQPTOZOXFXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3/c26-24-28-22(17-10-18-27)23(29-24)25(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16H,10,17-18,27H2,(H,28,29).
What are the key properties of 3-(2-fluoro-4-trityl-1H-imidazol-5-yl)propan-1-amine?
3-(2-fluoro-4-trityl-1H-imidazol-5-yl)propan-1-amine has a molecular weight of 385.49 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-trityl-1H-imidazol-5-yl)propan-1-amine is sourced from PubChem (CID 70525868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).