2-heptyl-1-hexyl-3-undecyl-2H-imidazole

C27H54N2 — CID 69389908

IUPAC2-heptyl-1-hexyl-3-undecyl-2H-imidazole
SMILESCCCCCCCCCCCN1C=CN(CCCCCC)C1CCCCCCC
InChIInChI=1S/C27H54N2/c1-4-7-10-13-14-15-16-18-21-24-29-26-25-28(23-20-12-9-6-3)27(29)22-19-17-11-8-5-2/h25-27H,4-24H2,1-3H3
InChIKeyUELYWEXLPOUKEZ-UHFFFAOYSA-N
MW406.74 g/mol
LogP8.87
Rot. Bonds21

About 2-heptyl-1-hexyl-3-undecyl-2H-imidazole

2-heptyl-1-hexyl-3-undecyl-2H-imidazole (PubChem CID 69389908) has the molecular formula C27H54N2 and a molecular weight of 406.74 g/mol. Its IUPAC name is 2-heptyl-1-hexyl-3-undecyl-2H-imidazole.

Molecular Properties

Compound Name2-heptyl-1-hexyl-3-undecyl-2H-imidazole
PubChem CID69389908
Molecular FormulaC27H54N2
Molecular Weight406.74 g/mol
Exact Mass406.43
IUPAC Name2-heptyl-1-hexyl-3-undecyl-2H-imidazole
SMILESCCCCCCCCCCCN1C=CN(CCCCCC)C1CCCCCCC
InChIInChI=1S/C27H54N2/c1-4-7-10-13-14-15-16-18-21-24-29-26-25-28(23-20-12-9-6-3)27(29)22-19-17-11-8-5-2/h25-27H,4-24H2,1-3H3
InChIKeyUELYWEXLPOUKEZ-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-nonadecyl-2,3-di(tridecyl)-2H-imidazole
CID 69396059
2-heptadecyl-1-heptyl-3-tridecyl-2H-imidazole
CID 69392439
1-dodecyl-3-hexadecyl-2-nonadecyl-2H-imidazole
CID 69395781
2-hexyl-1-nonadecyl-3-pentyl-2H-imidazole
CID 69389120
2-decyl-1-hexyl-3-octyl-2H-imidazole
CID 69390562
1-decyl-2-nonadecyl-3-tetradecyl-2H-imidazole
CID 69393336
2-octyl-1-pentyl-3-tridecyl-2H-imidazole
CID 69392381
2-hexyl-1-tetradecyl-3-undecyl-2H-imidazole
CID 69389447
1-dodecyl-2,3-dioctadecyl-2H-imidazole
CID 69396437
1,3-dihexyl-2-octadecyl-2H-imidazole
CID 69391687
1-hexadecyl-3-pentyl-2-undecyl-2H-imidazole
CID 69391035
1-dodecyl-2-hexyl-3-nonadecyl-2H-imidazole
CID 69390490

Frequently Asked Questions

What is the IUPAC name of 2-heptyl-1-hexyl-3-undecyl-2H-imidazole?
The IUPAC name of 2-heptyl-1-hexyl-3-undecyl-2H-imidazole (CID 69389908) is 2-heptyl-1-hexyl-3-undecyl-2H-imidazole.
What is the SMILES notation for 2-heptyl-1-hexyl-3-undecyl-2H-imidazole?
The canonical SMILES for 2-heptyl-1-hexyl-3-undecyl-2H-imidazole is CCCCCCCCCCCN1C=CN(CCCCCC)C1CCCCCCC.
What is the InChIKey of 2-heptyl-1-hexyl-3-undecyl-2H-imidazole?
The InChIKey is UELYWEXLPOUKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54N2/c1-4-7-10-13-14-15-16-18-21-24-29-26-25-28(23-20-12-9-6-3)27(29)22-19-17-11-8-5-2/h25-27H,4-24H2,1-3H3.
What are the key properties of 2-heptyl-1-hexyl-3-undecyl-2H-imidazole?
2-heptyl-1-hexyl-3-undecyl-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-heptyl-1-hexyl-3-undecyl-2H-imidazole is sourced from PubChem (CID 69389908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).