1-decyl-2-hexyl-4-(3-phenylpropyl)imidazole

C28H46N2 — CID 69395730

IUPAC1-decyl-2-hexyl-4-(3-phenylpropyl)imidazole
SMILESCCCCCCCCCCn1cc(CCCc2ccccc2)nc1CCCCCC
InChIInChI=1S/C28H46N2/c1-3-5-7-9-10-11-12-17-24-30-25-27(29-28(30)23-16-8-6-4-2)22-18-21-26-19-14-13-15-20-26/h13-15,19-20,25H,3-12,16-18,21-24H2,1-2H3
InChIKeyFGVXYXUOKYLSKN-UHFFFAOYSA-N
MW410.69 g/mol
LogP8.32
Rot. Bonds18

About 1-decyl-2-hexyl-4-(3-phenylpropyl)imidazole

1-decyl-2-hexyl-4-(3-phenylpropyl)imidazole (PubChem CID 69395730) has the molecular formula C28H46N2 and a molecular weight of 410.69 g/mol. Its IUPAC name is 1-decyl-2-hexyl-4-(3-phenylpropyl)imidazole.

Molecular Properties

Compound Name1-decyl-2-hexyl-4-(3-phenylpropyl)imidazole
PubChem CID69395730
Molecular FormulaC28H46N2
Molecular Weight410.69 g/mol
Exact Mass410.37
IUPAC Name1-decyl-2-hexyl-4-(3-phenylpropyl)imidazole
SMILESCCCCCCCCCCn1cc(CCCc2ccccc2)nc1CCCCCC
InChIInChI=1S/C28H46N2/c1-3-5-7-9-10-11-12-17-24-30-25-27(29-28(30)23-16-8-6-4-2)22-18-21-26-19-14-13-15-20-26/h13-15,19-20,25H,3-12,16-18,21-24H2,1-2H3
InChIKeyFGVXYXUOKYLSKN-UHFFFAOYSA-N
XLogP8.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.69
LogP ≤ 58.32
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
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
2-decyl-4-(3-phenylpropyl)-1-tetradecylimidazole
CID 69391447
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 1-decyl-2-hexyl-4-(3-phenylpropyl)imidazole?
The IUPAC name of 1-decyl-2-hexyl-4-(3-phenylpropyl)imidazole (CID 69395730) is 1-decyl-2-hexyl-4-(3-phenylpropyl)imidazole.
What is the SMILES notation for 1-decyl-2-hexyl-4-(3-phenylpropyl)imidazole?
The canonical SMILES for 1-decyl-2-hexyl-4-(3-phenylpropyl)imidazole is CCCCCCCCCCn1cc(CCCc2ccccc2)nc1CCCCCC.
What is the InChIKey of 1-decyl-2-hexyl-4-(3-phenylpropyl)imidazole?
The InChIKey is FGVXYXUOKYLSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H46N2/c1-3-5-7-9-10-11-12-17-24-30-25-27(29-28(30)23-16-8-6-4-2)22-18-21-26-19-14-13-15-20-26/h13-15,19-20,25H,3-12,16-18,21-24H2,1-2H3.
What are the key properties of 1-decyl-2-hexyl-4-(3-phenylpropyl)imidazole?
1-decyl-2-hexyl-4-(3-phenylpropyl)imidazole has a molecular weight of 410.69 g/mol, XLogP of 8.32, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-2-hexyl-4-(3-phenylpropyl)imidazole is sourced from PubChem (CID 69395730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).