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

C33H56N2 — CID 69388588

IUPAC2-hexyl-1-pentadecyl-4-(3-phenylpropyl)imidazole
SMILESCCCCCCCCCCCCCCCn1cc(CCCc2ccccc2)nc1CCCCCC
InChIInChI=1S/C33H56N2/c1-3-5-7-9-10-11-12-13-14-15-16-17-22-29-35-30-32(34-33(35)28-21-8-6-4-2)27-23-26-31-24-19-18-20-25-31/h18-20,24-25,30H,3-17,21-23,26-29H2,1-2H3
InChIKeyCKCWSSMJWJTCFF-UHFFFAOYSA-N
MW480.83 g/mol
LogP10.27
Rot. Bonds23

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

2-hexyl-1-pentadecyl-4-(3-phenylpropyl)imidazole (PubChem CID 69388588) has the molecular formula C33H56N2 and a molecular weight of 480.83 g/mol. Its IUPAC name is 2-hexyl-1-pentadecyl-4-(3-phenylpropyl)imidazole.

Molecular Properties

Compound Name2-hexyl-1-pentadecyl-4-(3-phenylpropyl)imidazole
PubChem CID69388588
Molecular FormulaC33H56N2
Molecular Weight480.83 g/mol
Exact Mass480.44
IUPAC Name2-hexyl-1-pentadecyl-4-(3-phenylpropyl)imidazole
SMILESCCCCCCCCCCCCCCCn1cc(CCCc2ccccc2)nc1CCCCCC
InChIInChI=1S/C33H56N2/c1-3-5-7-9-10-11-12-13-14-15-16-17-22-29-35-30-32(34-33(35)28-21-8-6-4-2)27-23-26-31-24-19-18-20-25-31/h18-20,24-25,30H,3-17,21-23,26-29H2,1-2H3
InChIKeyCKCWSSMJWJTCFF-UHFFFAOYSA-N
XLogP10.27
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.83
LogP ≤ 510.27
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
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 2-hexyl-1-pentadecyl-4-(3-phenylpropyl)imidazole?
The IUPAC name of 2-hexyl-1-pentadecyl-4-(3-phenylpropyl)imidazole (CID 69388588) is 2-hexyl-1-pentadecyl-4-(3-phenylpropyl)imidazole.
What is the SMILES notation for 2-hexyl-1-pentadecyl-4-(3-phenylpropyl)imidazole?
The canonical SMILES for 2-hexyl-1-pentadecyl-4-(3-phenylpropyl)imidazole is CCCCCCCCCCCCCCCn1cc(CCCc2ccccc2)nc1CCCCCC.
What is the InChIKey of 2-hexyl-1-pentadecyl-4-(3-phenylpropyl)imidazole?
The InChIKey is CKCWSSMJWJTCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H56N2/c1-3-5-7-9-10-11-12-13-14-15-16-17-22-29-35-30-32(34-33(35)28-21-8-6-4-2)27-23-26-31-24-19-18-20-25-31/h18-20,24-25,30H,3-17,21-23,26-29H2,1-2H3.
What are the key properties of 2-hexyl-1-pentadecyl-4-(3-phenylpropyl)imidazole?
2-hexyl-1-pentadecyl-4-(3-phenylpropyl)imidazole has a molecular weight of 480.83 g/mol, XLogP of 10.27, 23 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-1-pentadecyl-4-(3-phenylpropyl)imidazole is sourced from PubChem (CID 69388588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).