1-pentyl-4-(3-phenylpropyl)-2-tridecylimidazole

C30H50N2 — CID 69394705

IUPAC1-pentyl-4-(3-phenylpropyl)-2-tridecylimidazole
SMILESCCCCCCCCCCCCCc1nc(CCCc2ccccc2)cn1CCCCC
InChIInChI=1S/C30H50N2/c1-3-5-7-8-9-10-11-12-13-14-18-25-30-31-29(27-32(30)26-19-6-4-2)24-20-23-28-21-16-15-17-22-28/h15-17,21-22,27H,3-14,18-20,23-26H2,1-2H3
InChIKeyXVTKXASBUZANFG-UHFFFAOYSA-N
MW438.74 g/mol
LogP9.10
Rot. Bonds20

About 1-pentyl-4-(3-phenylpropyl)-2-tridecylimidazole

1-pentyl-4-(3-phenylpropyl)-2-tridecylimidazole (PubChem CID 69394705) has the molecular formula C30H50N2 and a molecular weight of 438.74 g/mol. Its IUPAC name is 1-pentyl-4-(3-phenylpropyl)-2-tridecylimidazole.

Molecular Properties

Compound Name1-pentyl-4-(3-phenylpropyl)-2-tridecylimidazole
PubChem CID69394705
Molecular FormulaC30H50N2
Molecular Weight438.74 g/mol
Exact Mass438.40
IUPAC Name1-pentyl-4-(3-phenylpropyl)-2-tridecylimidazole
SMILESCCCCCCCCCCCCCc1nc(CCCc2ccccc2)cn1CCCCC
InChIInChI=1S/C30H50N2/c1-3-5-7-8-9-10-11-12-13-14-18-25-30-31-29(27-32(30)26-19-6-4-2)24-20-23-28-21-16-15-17-22-28/h15-17,21-22,27H,3-14,18-20,23-26H2,1-2H3
InChIKeyXVTKXASBUZANFG-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'}

Analyze 1-pentyl-4-(3-phenylpropyl)-2-tridecylimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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-pentyl-4-(3-phenylpropyl)-2-tridecylimidazole?
The IUPAC name of 1-pentyl-4-(3-phenylpropyl)-2-tridecylimidazole (CID 69394705) is 1-pentyl-4-(3-phenylpropyl)-2-tridecylimidazole.
What is the SMILES notation for 1-pentyl-4-(3-phenylpropyl)-2-tridecylimidazole?
The canonical SMILES for 1-pentyl-4-(3-phenylpropyl)-2-tridecylimidazole is CCCCCCCCCCCCCc1nc(CCCc2ccccc2)cn1CCCCC.
What is the InChIKey of 1-pentyl-4-(3-phenylpropyl)-2-tridecylimidazole?
The InChIKey is XVTKXASBUZANFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H50N2/c1-3-5-7-8-9-10-11-12-13-14-18-25-30-31-29(27-32(30)26-19-6-4-2)24-20-23-28-21-16-15-17-22-28/h15-17,21-22,27H,3-14,18-20,23-26H2,1-2H3.
What are the key properties of 1-pentyl-4-(3-phenylpropyl)-2-tridecylimidazole?
1-pentyl-4-(3-phenylpropyl)-2-tridecylimidazole 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-pentyl-4-(3-phenylpropyl)-2-tridecylimidazole is sourced from PubChem (CID 69394705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).