2-(3-tritylimidazol-4-yl)propan-1-amine

C25H25N3 — CID 169163524

IUPAC2-(3-tritylimidazol-4-yl)propan-1-amine
SMILESCC(CN)c1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25N3/c1-20(17-26)24-18-27-19-28(24)25(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,18-20H,17,26H2,1H3
InChIKeyGZYVFYVFDJWGBY-UHFFFAOYSA-N
MW367.50 g/mol
LogP4.79
Rot. Bonds6

About 2-(3-tritylimidazol-4-yl)propan-1-amine

2-(3-tritylimidazol-4-yl)propan-1-amine (PubChem CID 169163524) has the molecular formula C25H25N3 and a molecular weight of 367.50 g/mol. Its IUPAC name is 2-(3-tritylimidazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-(3-tritylimidazol-4-yl)propan-1-amine
PubChem CID169163524
Molecular FormulaC25H25N3
Molecular Weight367.50 g/mol
Exact Mass367.20
IUPAC Name2-(3-tritylimidazol-4-yl)propan-1-amine
SMILESCC(CN)c1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25N3/c1-20(17-26)24-18-27-19-28(24)25(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,18-20H,17,26H2,1H3
InChIKeyGZYVFYVFDJWGBY-UHFFFAOYSA-N
XLogP4.79
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-(3-tritylimidazol-4-yl)propan-1-amine?
The IUPAC name of 2-(3-tritylimidazol-4-yl)propan-1-amine (CID 169163524) is 2-(3-tritylimidazol-4-yl)propan-1-amine.
What is the SMILES notation for 2-(3-tritylimidazol-4-yl)propan-1-amine?
The canonical SMILES for 2-(3-tritylimidazol-4-yl)propan-1-amine is CC(CN)c1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(3-tritylimidazol-4-yl)propan-1-amine?
The InChIKey is GZYVFYVFDJWGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3/c1-20(17-26)24-18-27-19-28(24)25(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,18-20H,17,26H2,1H3.
What are the key properties of 2-(3-tritylimidazol-4-yl)propan-1-amine?
2-(3-tritylimidazol-4-yl)propan-1-amine has a molecular weight of 367.50 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tritylimidazol-4-yl)propan-1-amine is sourced from PubChem (CID 169163524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).