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

C24H48N2 — CID 69389981

IUPAC1-butyl-2-ethyl-3-pentadecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCN1C=CN(CCCC)C1CC
InChIInChI=1S/C24H48N2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-21-26-23-22-25(20-8-5-2)24(26)6-3/h22-24H,4-21H2,1-3H3
InChIKeyNEASEWXBOWWJLI-UHFFFAOYSA-N
MW364.66 g/mol
LogP7.70
Rot. Bonds18

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

1-butyl-2-ethyl-3-pentadecyl-2H-imidazole (PubChem CID 69389981) has the molecular formula C24H48N2 and a molecular weight of 364.66 g/mol. Its IUPAC name is 1-butyl-2-ethyl-3-pentadecyl-2H-imidazole.

Molecular Properties

Compound Name1-butyl-2-ethyl-3-pentadecyl-2H-imidazole
PubChem CID69389981
Molecular FormulaC24H48N2
Molecular Weight364.66 g/mol
Exact Mass364.38
IUPAC Name1-butyl-2-ethyl-3-pentadecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCN1C=CN(CCCC)C1CC
InChIInChI=1S/C24H48N2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-21-26-23-22-25(20-8-5-2)24(26)6-3/h22-24H,4-21H2,1-3H3
InChIKeyNEASEWXBOWWJLI-UHFFFAOYSA-N
XLogP7.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.66
LogP ≤ 57.70
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-hexyl-2H-imidazole
CID 69393295
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-hexyl-3-pentadecyl-2H-imidazole
CID 69392641
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-dodecyl-2-tetradecyl-2H-imidazole
CID 69390793
1-butyl-2-octyl-3-tetradecyl-2H-imidazole
CID 69395152

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-ethyl-3-pentadecyl-2H-imidazole?
The IUPAC name of 1-butyl-2-ethyl-3-pentadecyl-2H-imidazole (CID 69389981) is 1-butyl-2-ethyl-3-pentadecyl-2H-imidazole.
What is the SMILES notation for 1-butyl-2-ethyl-3-pentadecyl-2H-imidazole?
The canonical SMILES for 1-butyl-2-ethyl-3-pentadecyl-2H-imidazole is CCCCCCCCCCCCCCCN1C=CN(CCCC)C1CC.
What is the InChIKey of 1-butyl-2-ethyl-3-pentadecyl-2H-imidazole?
The InChIKey is NEASEWXBOWWJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-21-26-23-22-25(20-8-5-2)24(26)6-3/h22-24H,4-21H2,1-3H3.
What are the key properties of 1-butyl-2-ethyl-3-pentadecyl-2H-imidazole?
1-butyl-2-ethyl-3-pentadecyl-2H-imidazole has a molecular weight of 364.66 g/mol, XLogP of 7.70, 18 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-pentadecyl-2H-imidazole is sourced from PubChem (CID 69389981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).