2-ethyl-1-heptyl-3-pentadecyl-2H-imidazole

C27H54N2 — CID 69391593

IUPAC2-ethyl-1-heptyl-3-pentadecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCN1C=CN(CCCCCCC)C1CC
InChIInChI=1S/C27H54N2/c1-4-7-9-11-12-13-14-15-16-17-18-20-22-24-29-26-25-28(27(29)6-3)23-21-19-10-8-5-2/h25-27H,4-24H2,1-3H3
InChIKeyYYWZGYMNRZIOPR-UHFFFAOYSA-N
MW406.74 g/mol
LogP8.87
Rot. Bonds21

About 2-ethyl-1-heptyl-3-pentadecyl-2H-imidazole

2-ethyl-1-heptyl-3-pentadecyl-2H-imidazole (PubChem CID 69391593) has the molecular formula C27H54N2 and a molecular weight of 406.74 g/mol. Its IUPAC name is 2-ethyl-1-heptyl-3-pentadecyl-2H-imidazole.

Molecular Properties

Compound Name2-ethyl-1-heptyl-3-pentadecyl-2H-imidazole
PubChem CID69391593
Molecular FormulaC27H54N2
Molecular Weight406.74 g/mol
Exact Mass406.43
IUPAC Name2-ethyl-1-heptyl-3-pentadecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCN1C=CN(CCCCCCC)C1CC
InChIInChI=1S/C27H54N2/c1-4-7-9-11-12-13-14-15-16-17-18-20-22-24-29-26-25-28(27(29)6-3)23-21-19-10-8-5-2/h25-27H,4-24H2,1-3H3
InChIKeyYYWZGYMNRZIOPR-UHFFFAOYSA-N
XLogP8.87
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.74
LogP ≤ 58.87
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-nonadecyl-3-tridecyl-2H-imidazole
CID 69389494
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-1,3-dioctyl-2H-imidazole bromide
CID 21393920
1-butyl-2-ethyl-3-pentadecyl-2H-imidazole
CID 69389981
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-heptyl-3-pentadecyl-2H-imidazole?
The IUPAC name of 2-ethyl-1-heptyl-3-pentadecyl-2H-imidazole (CID 69391593) is 2-ethyl-1-heptyl-3-pentadecyl-2H-imidazole.
What is the SMILES notation for 2-ethyl-1-heptyl-3-pentadecyl-2H-imidazole?
The canonical SMILES for 2-ethyl-1-heptyl-3-pentadecyl-2H-imidazole is CCCCCCCCCCCCCCCN1C=CN(CCCCCCC)C1CC.
What is the InChIKey of 2-ethyl-1-heptyl-3-pentadecyl-2H-imidazole?
The InChIKey is YYWZGYMNRZIOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54N2/c1-4-7-9-11-12-13-14-15-16-17-18-20-22-24-29-26-25-28(27(29)6-3)23-21-19-10-8-5-2/h25-27H,4-24H2,1-3H3.
What are the key properties of 2-ethyl-1-heptyl-3-pentadecyl-2H-imidazole?
2-ethyl-1-heptyl-3-pentadecyl-2H-imidazole has a molecular weight of 406.74 g/mol, XLogP of 8.87, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-heptyl-3-pentadecyl-2H-imidazole is sourced from PubChem (CID 69391593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).