1-octadecyl-2,3-dipropyl-2H-imidazole

C27H54N2 — CID 69386966

IUPAC1-octadecyl-2,3-dipropyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCCCN1C=CN(CCC)C1CCC
InChIInChI=1S/C27H54N2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-29-26-25-28(23-6-3)27(29)22-5-2/h25-27H,4-24H2,1-3H3
InChIKeyOLFGTPALMRJKTO-UHFFFAOYSA-N
MW406.74 g/mol
LogP8.87
Rot. Bonds21

About 1-octadecyl-2,3-dipropyl-2H-imidazole

1-octadecyl-2,3-dipropyl-2H-imidazole (PubChem CID 69386966) has the molecular formula C27H54N2 and a molecular weight of 406.74 g/mol. Its IUPAC name is 1-octadecyl-2,3-dipropyl-2H-imidazole.

Molecular Properties

Compound Name1-octadecyl-2,3-dipropyl-2H-imidazole
PubChem CID69386966
Molecular FormulaC27H54N2
Molecular Weight406.74 g/mol
Exact Mass406.43
IUPAC Name1-octadecyl-2,3-dipropyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCCCN1C=CN(CCC)C1CCC
InChIInChI=1S/C27H54N2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-29-26-25-28(23-6-3)27(29)22-5-2/h25-27H,4-24H2,1-3H3
InChIKeyOLFGTPALMRJKTO-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

1,2-dipropyl-3-tridecyl-2H-imidazole
CID 69391339
1-pentadecyl-2-propyl-3-undecyl-2H-imidazole
CID 69395009
1-nonadecyl-2-propyl-3-tetradecyl-2H-imidazole
CID 69388828
1-decyl-3-dodecyl-2-propyl-2H-imidazole
CID 69387094
2-propyl-1-tetradecyl-3-tridecyl-2H-imidazole
CID 69387822
2-dodecyl-1-hexyl-3-propyl-2H-imidazole
CID 69389075
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-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

Frequently Asked Questions

What is the IUPAC name of 1-octadecyl-2,3-dipropyl-2H-imidazole?
The IUPAC name of 1-octadecyl-2,3-dipropyl-2H-imidazole (CID 69386966) is 1-octadecyl-2,3-dipropyl-2H-imidazole.
What is the SMILES notation for 1-octadecyl-2,3-dipropyl-2H-imidazole?
The canonical SMILES for 1-octadecyl-2,3-dipropyl-2H-imidazole is CCCCCCCCCCCCCCCCCCN1C=CN(CCC)C1CCC.
What is the InChIKey of 1-octadecyl-2,3-dipropyl-2H-imidazole?
The InChIKey is OLFGTPALMRJKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54N2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-29-26-25-28(23-6-3)27(29)22-5-2/h25-27H,4-24H2,1-3H3.
What are the key properties of 1-octadecyl-2,3-dipropyl-2H-imidazole?
1-octadecyl-2,3-dipropyl-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 1-octadecyl-2,3-dipropyl-2H-imidazole is sourced from PubChem (CID 69386966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).