1-butyl-2-ethyl-3-hexyl-2H-imidazole

C15H30N2 — CID 69393295

IUPAC1-butyl-2-ethyl-3-hexyl-2H-imidazole
SMILESCCCCCCN1C=CN(CCCC)C1CC
InChIInChI=1S/C15H30N2/c1-4-7-9-10-12-17-14-13-16(11-8-5-2)15(17)6-3/h13-15H,4-12H2,1-3H3
InChIKeyXMFJTIFFVJTHLP-UHFFFAOYSA-N
MW238.42 g/mol
LogP4.19
Rot. Bonds9

About 1-butyl-2-ethyl-3-hexyl-2H-imidazole

1-butyl-2-ethyl-3-hexyl-2H-imidazole (PubChem CID 69393295) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-butyl-2-ethyl-3-hexyl-2H-imidazole.

Molecular Properties

Compound Name1-butyl-2-ethyl-3-hexyl-2H-imidazole
PubChem CID69393295
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-butyl-2-ethyl-3-hexyl-2H-imidazole
SMILESCCCCCCN1C=CN(CCCC)C1CC
InChIInChI=1S/C15H30N2/c1-4-7-9-10-12-17-14-13-16(11-8-5-2)15(17)6-3/h13-15H,4-12H2,1-3H3
InChIKeyXMFJTIFFVJTHLP-UHFFFAOYSA-N
XLogP4.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 54.19
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-butyl-2-ethyl-3-pentadecyl-2H-imidazole
CID 69389981
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-nonadecyl-3-tridecyl-2H-imidazole
CID 69389494
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
2-ethyl-1,3-dioctyl-2H-imidazole bromide
CID 21393920
1,2-diethyl-3-heptyl-2H-imidazole
CID 69392004
1-butyl-3-hexyl-2-tridecyl-2H-imidazole
CID 69390321
1-butyl-2,3-di(heptadecyl)-2H-imidazole
CID 69387120

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-ethyl-3-hexyl-2H-imidazole?
The IUPAC name of 1-butyl-2-ethyl-3-hexyl-2H-imidazole (CID 69393295) is 1-butyl-2-ethyl-3-hexyl-2H-imidazole.
What is the SMILES notation for 1-butyl-2-ethyl-3-hexyl-2H-imidazole?
The canonical SMILES for 1-butyl-2-ethyl-3-hexyl-2H-imidazole is CCCCCCN1C=CN(CCCC)C1CC.
What is the InChIKey of 1-butyl-2-ethyl-3-hexyl-2H-imidazole?
The InChIKey is XMFJTIFFVJTHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-4-7-9-10-12-17-14-13-16(11-8-5-2)15(17)6-3/h13-15H,4-12H2,1-3H3.
What are the key properties of 1-butyl-2-ethyl-3-hexyl-2H-imidazole?
1-butyl-2-ethyl-3-hexyl-2H-imidazole has a molecular weight of 238.42 g/mol, XLogP of 4.19, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-ethyl-3-hexyl-2H-imidazole is sourced from PubChem (CID 69393295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).