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

C30H50N2 — CID 69393201

IUPAC1-butyl-4-(3-phenylpropyl)-2-tetradecylimidazole
SMILESCCCCCCCCCCCCCCc1nc(CCCc2ccccc2)cn1CCCC
InChIInChI=1S/C30H50N2/c1-3-5-7-8-9-10-11-12-13-14-15-19-25-30-31-29(27-32(30)26-6-4-2)24-20-23-28-21-17-16-18-22-28/h16-18,21-22,27H,3-15,19-20,23-26H2,1-2H3
InChIKeyRDQSKPLKPPEZEO-UHFFFAOYSA-N
MW438.74 g/mol
LogP9.10
Rot. Bonds20

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

1-butyl-4-(3-phenylpropyl)-2-tetradecylimidazole (PubChem CID 69393201) has the molecular formula C30H50N2 and a molecular weight of 438.74 g/mol. Its IUPAC name is 1-butyl-4-(3-phenylpropyl)-2-tetradecylimidazole.

Molecular Properties

Compound Name1-butyl-4-(3-phenylpropyl)-2-tetradecylimidazole
PubChem CID69393201
Molecular FormulaC30H50N2
Molecular Weight438.74 g/mol
Exact Mass438.40
IUPAC Name1-butyl-4-(3-phenylpropyl)-2-tetradecylimidazole
SMILESCCCCCCCCCCCCCCc1nc(CCCc2ccccc2)cn1CCCC
InChIInChI=1S/C30H50N2/c1-3-5-7-8-9-10-11-12-13-14-15-19-25-30-31-29(27-32(30)26-6-4-2)24-20-23-28-21-17-16-18-22-28/h16-18,21-22,27H,3-15,19-20,23-26H2,1-2H3
InChIKeyRDQSKPLKPPEZEO-UHFFFAOYSA-N
XLogP9.10
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.74
LogP ≤ 59.10
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-butyl-2-nonyl-4-(3-phenylpropyl)imidazole
CID 69394651
1-heptyl-2-hexyl-4-(3-phenylpropyl)imidazole
CID 69394508
1-heptadecyl-2-hexyl-4-(3-phenylpropyl)imidazole
CID 69392845
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-decyl-4-(3-phenylpropyl)-1-tetradecylimidazole
CID 69391447
2-dodecyl-1-heptadecyl-4-(3-phenylpropyl)imidazole
CID 69389170
1-octadecyl-2-pentyl-4-(3-phenylpropyl)imidazole
CID 69388590

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(3-phenylpropyl)-2-tetradecylimidazole?
The IUPAC name of 1-butyl-4-(3-phenylpropyl)-2-tetradecylimidazole (CID 69393201) is 1-butyl-4-(3-phenylpropyl)-2-tetradecylimidazole.
What is the SMILES notation for 1-butyl-4-(3-phenylpropyl)-2-tetradecylimidazole?
The canonical SMILES for 1-butyl-4-(3-phenylpropyl)-2-tetradecylimidazole is CCCCCCCCCCCCCCc1nc(CCCc2ccccc2)cn1CCCC.
What is the InChIKey of 1-butyl-4-(3-phenylpropyl)-2-tetradecylimidazole?
The InChIKey is RDQSKPLKPPEZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H50N2/c1-3-5-7-8-9-10-11-12-13-14-15-19-25-30-31-29(27-32(30)26-6-4-2)24-20-23-28-21-17-16-18-22-28/h16-18,21-22,27H,3-15,19-20,23-26H2,1-2H3.
What are the key properties of 1-butyl-4-(3-phenylpropyl)-2-tetradecylimidazole?
1-butyl-4-(3-phenylpropyl)-2-tetradecylimidazole has a molecular weight of 438.74 g/mol, XLogP of 9.10, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(3-phenylpropyl)-2-tetradecylimidazole is sourced from PubChem (CID 69393201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).