1-octadecyl-2-octyl-3-propan-2-yl-2H-imidazole

C32H64N2 — CID 69394365

IUPAC1-octadecyl-2-octyl-3-propan-2-yl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCCCN1C=CN(C(C)C)C1CCCCCCCC
InChIInChI=1S/C32H64N2/c1-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-33-29-30-34(31(3)4)32(33)27-25-23-12-10-8-6-2/h29-32H,5-28H2,1-4H3
InChIKeyVKSJQVYRHFJCFG-UHFFFAOYSA-N
MW476.88 g/mol
LogP10.82
Rot. Bonds25

About 1-octadecyl-2-octyl-3-propan-2-yl-2H-imidazole

1-octadecyl-2-octyl-3-propan-2-yl-2H-imidazole (PubChem CID 69394365) has the molecular formula C32H64N2 and a molecular weight of 476.88 g/mol. Its IUPAC name is 1-octadecyl-2-octyl-3-propan-2-yl-2H-imidazole.

Molecular Properties

Compound Name1-octadecyl-2-octyl-3-propan-2-yl-2H-imidazole
PubChem CID69394365
Molecular FormulaC32H64N2
Molecular Weight476.88 g/mol
Exact Mass476.51
IUPAC Name1-octadecyl-2-octyl-3-propan-2-yl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCCCN1C=CN(C(C)C)C1CCCCCCCC
InChIInChI=1S/C32H64N2/c1-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-33-29-30-34(31(3)4)32(33)27-25-23-12-10-8-6-2/h29-32H,5-28H2,1-4H3
InChIKeyVKSJQVYRHFJCFG-UHFFFAOYSA-N
XLogP10.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds25
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.88
LogP ≤ 510.82
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-nonadecyl-2-pentyl-3-propan-2-yl-2H-imidazole
CID 69393203
1-pentyl-3-propan-2-yl-2-undecyl-2H-imidazole
CID 69392378
2-hexadecyl-1-propan-2-yl-3-tetradecyl-2H-imidazole
CID 69397619
2-octadecyl-1-pentadecyl-3-propan-2-yl-2H-imidazole
CID 69407692
2-heptyl-1-octyl-3-propan-2-yl-2H-imidazole
CID 69409093
1-decyl-3-propan-2-yl-2-tridecyl-2H-imidazole
CID 69393183
2-nonyl-1-propan-2-yl-3-tridecyl-2H-imidazole
CID 69391093
1,2-didodecyl-3-propan-2-yl-2H-imidazole
CID 69397621
1-propan-2-yl-3-tetradecyl-2-undecyl-2H-imidazole
CID 69406629
1-nonadecyl-3-propan-2-yl-2-tridecyl-2H-imidazole
CID 69389221
1-heptadecyl-3-propan-2-yl-2-propyl-2H-imidazole
CID 69393492
1-dodecyl-2-ethyl-3-propan-2-yl-2H-imidazole
CID 69395424

Frequently Asked Questions

What is the IUPAC name of 1-octadecyl-2-octyl-3-propan-2-yl-2H-imidazole?
The IUPAC name of 1-octadecyl-2-octyl-3-propan-2-yl-2H-imidazole (CID 69394365) is 1-octadecyl-2-octyl-3-propan-2-yl-2H-imidazole.
What is the SMILES notation for 1-octadecyl-2-octyl-3-propan-2-yl-2H-imidazole?
The canonical SMILES for 1-octadecyl-2-octyl-3-propan-2-yl-2H-imidazole is CCCCCCCCCCCCCCCCCCN1C=CN(C(C)C)C1CCCCCCCC.
What is the InChIKey of 1-octadecyl-2-octyl-3-propan-2-yl-2H-imidazole?
The InChIKey is VKSJQVYRHFJCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H64N2/c1-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-33-29-30-34(31(3)4)32(33)27-25-23-12-10-8-6-2/h29-32H,5-28H2,1-4H3.
What are the key properties of 1-octadecyl-2-octyl-3-propan-2-yl-2H-imidazole?
1-octadecyl-2-octyl-3-propan-2-yl-2H-imidazole has a molecular weight of 476.88 g/mol, XLogP of 10.82, 25 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octadecyl-2-octyl-3-propan-2-yl-2H-imidazole is sourced from PubChem (CID 69394365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).