2-decyl-1-ethyl-3-heptadecyl-2H-imidazole

C32H64N2 — CID 69395677

IUPAC2-decyl-1-ethyl-3-heptadecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCCN1C=CN(CC)C1CCCCCCCCCC
InChIInChI=1S/C32H64N2/c1-4-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-34-31-30-33(6-3)32(34)28-26-24-22-14-12-10-8-5-2/h30-32H,4-29H2,1-3H3
InChIKeyFKKQHJNXIFUAKP-UHFFFAOYSA-N
MW476.88 g/mol
LogP10.82
Rot. Bonds26

About 2-decyl-1-ethyl-3-heptadecyl-2H-imidazole

2-decyl-1-ethyl-3-heptadecyl-2H-imidazole (PubChem CID 69395677) has the molecular formula C32H64N2 and a molecular weight of 476.88 g/mol. Its IUPAC name is 2-decyl-1-ethyl-3-heptadecyl-2H-imidazole.

Molecular Properties

Compound Name2-decyl-1-ethyl-3-heptadecyl-2H-imidazole
PubChem CID69395677
Molecular FormulaC32H64N2
Molecular Weight476.88 g/mol
Exact Mass476.51
IUPAC Name2-decyl-1-ethyl-3-heptadecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCCN1C=CN(CC)C1CCCCCCCCCC
InChIInChI=1S/C32H64N2/c1-4-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-34-31-30-33(6-3)32(34)28-26-24-22-14-12-10-8-5-2/h30-32H,4-29H2,1-3H3
InChIKeyFKKQHJNXIFUAKP-UHFFFAOYSA-N
XLogP10.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds26
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

2-dodecyl-1-ethyl-3-hexadecyl-2H-imidazole
CID 69391679
1-ethyl-3-hexyl-2-nonyl-2H-imidazole
CID 69393427
1-ethyl-2-hexyl-3-pentadecyl-2H-imidazole
CID 69387728
1-ethyl-3-nonyl-2-tridecyl-2H-imidazole
CID 69394952
1-ethyl-2-pentadecyl-3-undecyl-2H-imidazole
CID 69394280
1-dodecyl-3-ethyl-2-pentyl-2H-imidazole
CID 69392677
1-ethyl-2-hexadecyl-3-pentadecyl-2H-imidazole
CID 69394542
1-ethyl-3-heptadecyl-2-octyl-2H-imidazole
CID 69395926
1-ethyl-3-octyl-2-pentadecyl-2H-imidazole
CID 69396560
1-dodecyl-3-ethyl-2-tetradecyl-2H-imidazole
CID 69393662
1-ethyl-3-heptyl-2-nonadecyl-2H-imidazole
CID 69391689
1-butyl-3-ethyl-2-octyl-2H-imidazole
CID 69395296

Frequently Asked Questions

What is the IUPAC name of 2-decyl-1-ethyl-3-heptadecyl-2H-imidazole?
The IUPAC name of 2-decyl-1-ethyl-3-heptadecyl-2H-imidazole (CID 69395677) is 2-decyl-1-ethyl-3-heptadecyl-2H-imidazole.
What is the SMILES notation for 2-decyl-1-ethyl-3-heptadecyl-2H-imidazole?
The canonical SMILES for 2-decyl-1-ethyl-3-heptadecyl-2H-imidazole is CCCCCCCCCCCCCCCCCN1C=CN(CC)C1CCCCCCCCCC.
What is the InChIKey of 2-decyl-1-ethyl-3-heptadecyl-2H-imidazole?
The InChIKey is FKKQHJNXIFUAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H64N2/c1-4-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-34-31-30-33(6-3)32(34)28-26-24-22-14-12-10-8-5-2/h30-32H,4-29H2,1-3H3.
What are the key properties of 2-decyl-1-ethyl-3-heptadecyl-2H-imidazole?
2-decyl-1-ethyl-3-heptadecyl-2H-imidazole has a molecular weight of 476.88 g/mol, XLogP of 10.82, 26 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-1-ethyl-3-heptadecyl-2H-imidazole is sourced from PubChem (CID 69395677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).