2-ethyl-1-nonadecyl-3-tridecyl-2H-imidazole

C37H74N2 — CID 69389494

IUPAC2-ethyl-1-nonadecyl-3-tridecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCCCCN1C=CN(CCCCCCCCCCCCC)C1CC
InChIInChI=1S/C37H74N2/c1-4-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-39-36-35-38(37(39)6-3)33-31-29-27-25-23-16-14-12-10-8-5-2/h35-37H,4-34H2,1-3H3
InChIKeyMAOMXLWTHWAGRB-UHFFFAOYSA-N
MW547.01 g/mol
LogP12.77
Rot. Bonds31

About 2-ethyl-1-nonadecyl-3-tridecyl-2H-imidazole

2-ethyl-1-nonadecyl-3-tridecyl-2H-imidazole (PubChem CID 69389494) has the molecular formula C37H74N2 and a molecular weight of 547.01 g/mol. Its IUPAC name is 2-ethyl-1-nonadecyl-3-tridecyl-2H-imidazole.

Molecular Properties

Compound Name2-ethyl-1-nonadecyl-3-tridecyl-2H-imidazole
PubChem CID69389494
Molecular FormulaC37H74N2
Molecular Weight547.01 g/mol
Exact Mass546.59
IUPAC Name2-ethyl-1-nonadecyl-3-tridecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCCCCN1C=CN(CCCCCCCCCCCCC)C1CC
InChIInChI=1S/C37H74N2/c1-4-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-39-36-35-38(37(39)6-3)33-31-29-27-25-23-16-14-12-10-8-5-2/h35-37H,4-34H2,1-3H3
InChIKeyMAOMXLWTHWAGRB-UHFFFAOYSA-N
XLogP12.77
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds31
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.01
LogP ≤ 512.77
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-ethyl-1-hexyl-3-pentadecyl-2H-imidazole
CID 69392641
2-ethyl-1-hexadecyl-3-pentadecyl-2H-imidazole
CID 69392466
2-ethyl-1-heptyl-3-octadecyl-2H-imidazole
CID 69388270
2-ethyl-1-heptadecyl-3-pentyl-2H-imidazole
CID 69392894
1-dodecyl-2-ethyl-3-pentyl-2H-imidazole
CID 69391926
2-ethyl-1-heptyl-3-pentadecyl-2H-imidazole
CID 69391593
1-butyl-2-ethyl-3-pentadecyl-2H-imidazole
CID 69389981
2-ethyl-1,3-dioctyl-2H-imidazole bromide
CID 21393920
1-butyl-2-ethyl-3-hexyl-2H-imidazole
CID 69393295
1,2-diethyl-3-heptyl-2H-imidazole
CID 69392004
1-heptyl-2-hexadecyl-3-undecyl-2H-imidazole
CID 69395411
1,2-dipentyl-3-tridecyl-2H-imidazole
CID 69392836

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-nonadecyl-3-tridecyl-2H-imidazole?
The IUPAC name of 2-ethyl-1-nonadecyl-3-tridecyl-2H-imidazole (CID 69389494) is 2-ethyl-1-nonadecyl-3-tridecyl-2H-imidazole.
What is the SMILES notation for 2-ethyl-1-nonadecyl-3-tridecyl-2H-imidazole?
The canonical SMILES for 2-ethyl-1-nonadecyl-3-tridecyl-2H-imidazole is CCCCCCCCCCCCCCCCCCCN1C=CN(CCCCCCCCCCCCC)C1CC.
What is the InChIKey of 2-ethyl-1-nonadecyl-3-tridecyl-2H-imidazole?
The InChIKey is MAOMXLWTHWAGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H74N2/c1-4-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-39-36-35-38(37(39)6-3)33-31-29-27-25-23-16-14-12-10-8-5-2/h35-37H,4-34H2,1-3H3.
What are the key properties of 2-ethyl-1-nonadecyl-3-tridecyl-2H-imidazole?
2-ethyl-1-nonadecyl-3-tridecyl-2H-imidazole has a molecular weight of 547.01 g/mol, XLogP of 12.77, 31 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-nonadecyl-3-tridecyl-2H-imidazole is sourced from PubChem (CID 69389494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).