2-decyl-4-(3-phenylpropyl)-1-tetradecylimidazole

C36H62N2 — CID 69391447

IUPAC2-decyl-4-(3-phenylpropyl)-1-tetradecylimidazole
SMILESCCCCCCCCCCCCCCn1cc(CCCc2ccccc2)nc1CCCCCCCCCC
InChIInChI=1S/C36H62N2/c1-3-5-7-9-11-13-14-15-16-18-20-25-32-38-33-35(30-26-29-34-27-22-21-23-28-34)37-36(38)31-24-19-17-12-10-8-6-4-2/h21-23,27-28,33H,3-20,24-26,29-32H2,1-2H3
InChIKeyIPZKABXGDZCJMP-UHFFFAOYSA-N
MW522.91 g/mol
LogP11.44
Rot. Bonds26

About 2-decyl-4-(3-phenylpropyl)-1-tetradecylimidazole

2-decyl-4-(3-phenylpropyl)-1-tetradecylimidazole (PubChem CID 69391447) has the molecular formula C36H62N2 and a molecular weight of 522.91 g/mol. Its IUPAC name is 2-decyl-4-(3-phenylpropyl)-1-tetradecylimidazole.

Molecular Properties

Compound Name2-decyl-4-(3-phenylpropyl)-1-tetradecylimidazole
PubChem CID69391447
Molecular FormulaC36H62N2
Molecular Weight522.91 g/mol
Exact Mass522.49
IUPAC Name2-decyl-4-(3-phenylpropyl)-1-tetradecylimidazole
SMILESCCCCCCCCCCCCCCn1cc(CCCc2ccccc2)nc1CCCCCCCCCC
InChIInChI=1S/C36H62N2/c1-3-5-7-9-11-13-14-15-16-18-20-25-32-38-33-35(30-26-29-34-27-22-21-23-28-34)37-36(38)31-24-19-17-12-10-8-6-4-2/h21-23,27-28,33H,3-20,24-26,29-32H2,1-2H3
InChIKeyIPZKABXGDZCJMP-UHFFFAOYSA-N
XLogP11.44
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.91
LogP ≤ 511.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-pentyl-4-(3-phenylpropyl)-2-tridecylimidazole
CID 69394705
1-hexadecyl-4-(3-phenylpropyl)-2-tridecylimidazole
CID 69394149
1-octyl-4-(3-phenylpropyl)-2-undecylimidazole
CID 69393954
1-decyl-2-hexyl-4-(3-phenylpropyl)imidazole
CID 69395730
2-hexyl-1-pentadecyl-4-(3-phenylpropyl)imidazole
CID 69388588
1-pentadecyl-4-(3-phenylpropyl)-2-tridecylimidazole
CID 69391173
2-dodecyl-1-heptadecyl-4-(3-phenylpropyl)imidazole
CID 69389170
1-octadecyl-2-pentyl-4-(3-phenylpropyl)imidazole
CID 69388590
1-heptyl-2-hexyl-4-(3-phenylpropyl)imidazole
CID 69394508
1-heptadecyl-2-hexyl-4-(3-phenylpropyl)imidazole
CID 69392845
2-pentadecyl-4-(3-phenylpropyl)-1-tridecylimidazole
CID 69389847
1-butyl-4-(3-phenylpropyl)-2-tetradecylimidazole
CID 69393201

Frequently Asked Questions

What is the IUPAC name of 2-decyl-4-(3-phenylpropyl)-1-tetradecylimidazole?
The IUPAC name of 2-decyl-4-(3-phenylpropyl)-1-tetradecylimidazole (CID 69391447) is 2-decyl-4-(3-phenylpropyl)-1-tetradecylimidazole.
What is the SMILES notation for 2-decyl-4-(3-phenylpropyl)-1-tetradecylimidazole?
The canonical SMILES for 2-decyl-4-(3-phenylpropyl)-1-tetradecylimidazole is CCCCCCCCCCCCCCn1cc(CCCc2ccccc2)nc1CCCCCCCCCC.
What is the InChIKey of 2-decyl-4-(3-phenylpropyl)-1-tetradecylimidazole?
The InChIKey is IPZKABXGDZCJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H62N2/c1-3-5-7-9-11-13-14-15-16-18-20-25-32-38-33-35(30-26-29-34-27-22-21-23-28-34)37-36(38)31-24-19-17-12-10-8-6-4-2/h21-23,27-28,33H,3-20,24-26,29-32H2,1-2H3.
What are the key properties of 2-decyl-4-(3-phenylpropyl)-1-tetradecylimidazole?
2-decyl-4-(3-phenylpropyl)-1-tetradecylimidazole has a molecular weight of 522.91 g/mol, XLogP of 11.44, 26 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-4-(3-phenylpropyl)-1-tetradecylimidazole is sourced from PubChem (CID 69391447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).