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

C30H60N2 — CID 69395926

IUPAC1-ethyl-3-heptadecyl-2-octyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCCN1C=CN(CC)C1CCCCCCCC
InChIInChI=1S/C30H60N2/c1-4-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-32-29-28-31(6-3)30(32)26-24-22-12-10-8-5-2/h28-30H,4-27H2,1-3H3
InChIKeyGUEOBEOTRVKRPN-UHFFFAOYSA-N
MW448.82 g/mol
LogP10.04
Rot. Bonds24

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

1-ethyl-3-heptadecyl-2-octyl-2H-imidazole (PubChem CID 69395926) has the molecular formula C30H60N2 and a molecular weight of 448.82 g/mol. Its IUPAC name is 1-ethyl-3-heptadecyl-2-octyl-2H-imidazole.

Molecular Properties

Compound Name1-ethyl-3-heptadecyl-2-octyl-2H-imidazole
PubChem CID69395926
Molecular FormulaC30H60N2
Molecular Weight448.82 g/mol
Exact Mass448.48
IUPAC Name1-ethyl-3-heptadecyl-2-octyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCCN1C=CN(CC)C1CCCCCCCC
InChIInChI=1S/C30H60N2/c1-4-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-32-29-28-31(6-3)30(32)26-24-22-12-10-8-5-2/h28-30H,4-27H2,1-3H3
InChIKeyGUEOBEOTRVKRPN-UHFFFAOYSA-N
XLogP10.04
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.82
LogP ≤ 510.04
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-decyl-1-ethyl-3-heptadecyl-2H-imidazole
CID 69395677
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-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 1-ethyl-3-heptadecyl-2-octyl-2H-imidazole?
The IUPAC name of 1-ethyl-3-heptadecyl-2-octyl-2H-imidazole (CID 69395926) is 1-ethyl-3-heptadecyl-2-octyl-2H-imidazole.
What is the SMILES notation for 1-ethyl-3-heptadecyl-2-octyl-2H-imidazole?
The canonical SMILES for 1-ethyl-3-heptadecyl-2-octyl-2H-imidazole is CCCCCCCCCCCCCCCCCN1C=CN(CC)C1CCCCCCCC.
What is the InChIKey of 1-ethyl-3-heptadecyl-2-octyl-2H-imidazole?
The InChIKey is GUEOBEOTRVKRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H60N2/c1-4-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-32-29-28-31(6-3)30(32)26-24-22-12-10-8-5-2/h28-30H,4-27H2,1-3H3.
What are the key properties of 1-ethyl-3-heptadecyl-2-octyl-2H-imidazole?
1-ethyl-3-heptadecyl-2-octyl-2H-imidazole has a molecular weight of 448.82 g/mol, XLogP of 10.04, 24 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-heptadecyl-2-octyl-2H-imidazole is sourced from PubChem (CID 69395926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).