2-dodecyl-1-hexyl-3-propyl-2H-imidazole

C24H48N2 — CID 69389075

IUPAC2-dodecyl-1-hexyl-3-propyl-2H-imidazole
SMILESCCCCCCCCCCCCC1N(CCC)C=CN1CCCCCC
InChIInChI=1S/C24H48N2/c1-4-7-9-11-12-13-14-15-16-17-19-24-25(20-6-3)22-23-26(24)21-18-10-8-5-2/h22-24H,4-21H2,1-3H3
InChIKeyHWBNVIBYWRQOGE-UHFFFAOYSA-N
MW364.66 g/mol
LogP7.70
Rot. Bonds18

About 2-dodecyl-1-hexyl-3-propyl-2H-imidazole

2-dodecyl-1-hexyl-3-propyl-2H-imidazole (PubChem CID 69389075) has the molecular formula C24H48N2 and a molecular weight of 364.66 g/mol. Its IUPAC name is 2-dodecyl-1-hexyl-3-propyl-2H-imidazole.

Molecular Properties

Compound Name2-dodecyl-1-hexyl-3-propyl-2H-imidazole
PubChem CID69389075
Molecular FormulaC24H48N2
Molecular Weight364.66 g/mol
Exact Mass364.38
IUPAC Name2-dodecyl-1-hexyl-3-propyl-2H-imidazole
SMILESCCCCCCCCCCCCC1N(CCC)C=CN1CCCCCC
InChIInChI=1S/C24H48N2/c1-4-7-9-11-12-13-14-15-16-17-19-24-25(20-6-3)22-23-26(24)21-18-10-8-5-2/h22-24H,4-21H2,1-3H3
InChIKeyHWBNVIBYWRQOGE-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

2-hexyl-1-octadecyl-3-propyl-2H-imidazole
CID 69390514
2-pentadecyl-1-propyl-3-tridecyl-2H-imidazole
CID 69391434
2-hexyl-1-nonadecyl-3-propyl-2H-imidazole
CID 69390950
1-pentyl-3-propyl-2-tridecyl-2H-imidazole
CID 69386489
1-propyl-2,3-di(tridecyl)-2H-imidazole
CID 69395493
2-heptyl-1-propyl-3-undecyl-2H-imidazole
CID 69389082
1-nonyl-2-pentyl-3-propyl-2H-imidazole
CID 69394214
1-hexadecyl-2-octyl-3-propyl-2H-imidazole
CID 21393904
2-decyl-1-octyl-3-propyl-2H-imidazole
CID 69391911
1-decyl-2-hexyl-3-propyl-2H-imidazole
CID 69387913
2-octadecyl-1-octyl-3-pentadecyl-2H-imidazole
CID 69391949
2-hexyl-1-octadecyl-3-pentyl-2H-imidazole
CID 69390682

Frequently Asked Questions

What is the IUPAC name of 2-dodecyl-1-hexyl-3-propyl-2H-imidazole?
The IUPAC name of 2-dodecyl-1-hexyl-3-propyl-2H-imidazole (CID 69389075) is 2-dodecyl-1-hexyl-3-propyl-2H-imidazole.
What is the SMILES notation for 2-dodecyl-1-hexyl-3-propyl-2H-imidazole?
The canonical SMILES for 2-dodecyl-1-hexyl-3-propyl-2H-imidazole is CCCCCCCCCCCCC1N(CCC)C=CN1CCCCCC.
What is the InChIKey of 2-dodecyl-1-hexyl-3-propyl-2H-imidazole?
The InChIKey is HWBNVIBYWRQOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N2/c1-4-7-9-11-12-13-14-15-16-17-19-24-25(20-6-3)22-23-26(24)21-18-10-8-5-2/h22-24H,4-21H2,1-3H3.
What are the key properties of 2-dodecyl-1-hexyl-3-propyl-2H-imidazole?
2-dodecyl-1-hexyl-3-propyl-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 2-dodecyl-1-hexyl-3-propyl-2H-imidazole is sourced from PubChem (CID 69389075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).