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

C25H25N3 — CID 15345825

IUPAC3-(1-tritylimidazol-4-yl)propan-1-amine
SMILESNCCCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C25H25N3/c26-18-10-17-24-19-28(20-27-24)25(21-11-4-1-5-12-21,22-13-6-2-7-14-22)23-15-8-3-9-16-23/h1-9,11-16,19-20H,10,17-18,26H2
InChIKeyPQVLJKLTNMOGBT-UHFFFAOYSA-N
MW367.50 g/mol
LogP4.61
Rot. Bonds7

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

3-(1-tritylimidazol-4-yl)propan-1-amine (PubChem CID 15345825) has the molecular formula C25H25N3 and a molecular weight of 367.50 g/mol. Its IUPAC name is 3-(1-tritylimidazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1-tritylimidazol-4-yl)propan-1-amine
PubChem CID15345825
Molecular FormulaC25H25N3
Molecular Weight367.50 g/mol
Exact Mass367.20
IUPAC Name3-(1-tritylimidazol-4-yl)propan-1-amine
SMILESNCCCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C25H25N3/c26-18-10-17-24-19-28(20-27-24)25(21-11-4-1-5-12-21,22-13-6-2-7-14-22)23-15-8-3-9-16-23/h1-9,11-16,19-20H,10,17-18,26H2
InChIKeyPQVLJKLTNMOGBT-UHFFFAOYSA-N
XLogP4.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 54.61
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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Related Compounds

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CID 2378
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SB-220025
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1-benzyl-5-phenyl-1H-imidazole
CID 10444038
1-(biphenyl-4-ylmethyl)-1H-imidazole
CID 12229396
VK-19911
CID 9797240
2,6-Diphenylimidazo[1,2-a]pyridine
CID 58880626
Dechloroclotrimazole
CID 618231
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Dimethylhistaprodifen
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Frequently Asked Questions

What is the IUPAC name of 3-(1-tritylimidazol-4-yl)propan-1-amine?
The IUPAC name of 3-(1-tritylimidazol-4-yl)propan-1-amine (CID 15345825) is 3-(1-tritylimidazol-4-yl)propan-1-amine.
What is the SMILES notation for 3-(1-tritylimidazol-4-yl)propan-1-amine?
The canonical SMILES for 3-(1-tritylimidazol-4-yl)propan-1-amine is NCCCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of 3-(1-tritylimidazol-4-yl)propan-1-amine?
The InChIKey is PQVLJKLTNMOGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3/c26-18-10-17-24-19-28(20-27-24)25(21-11-4-1-5-12-21,22-13-6-2-7-14-22)23-15-8-3-9-16-23/h1-9,11-16,19-20H,10,17-18,26H2.
What are the key properties of 3-(1-tritylimidazol-4-yl)propan-1-amine?
3-(1-tritylimidazol-4-yl)propan-1-amine has a molecular weight of 367.50 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-tritylimidazol-4-yl)propan-1-amine is sourced from PubChem (CID 15345825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).