2-heptyl-1-nonyl-3-pentyl-2H-imidazole

C24H48N2 — CID 69388451

IUPAC2-heptyl-1-nonyl-3-pentyl-2H-imidazole
SMILESCCCCCCCCCN1C=CN(CCCCC)C1CCCCCCC
InChIInChI=1S/C24H48N2/c1-4-7-10-12-13-15-18-21-26-23-22-25(20-17-9-6-3)24(26)19-16-14-11-8-5-2/h22-24H,4-21H2,1-3H3
InChIKeyKVQPAKAWHJBWEB-UHFFFAOYSA-N
MW364.66 g/mol
LogP7.70
Rot. Bonds18

About 2-heptyl-1-nonyl-3-pentyl-2H-imidazole

2-heptyl-1-nonyl-3-pentyl-2H-imidazole (PubChem CID 69388451) has the molecular formula C24H48N2 and a molecular weight of 364.66 g/mol. Its IUPAC name is 2-heptyl-1-nonyl-3-pentyl-2H-imidazole.

Molecular Properties

Compound Name2-heptyl-1-nonyl-3-pentyl-2H-imidazole
PubChem CID69388451
Molecular FormulaC24H48N2
Molecular Weight364.66 g/mol
Exact Mass364.38
IUPAC Name2-heptyl-1-nonyl-3-pentyl-2H-imidazole
SMILESCCCCCCCCCN1C=CN(CCCCC)C1CCCCCCC
InChIInChI=1S/C24H48N2/c1-4-7-10-12-13-15-18-21-26-23-22-25(20-17-9-6-3)24(26)19-16-14-11-8-5-2/h22-24H,4-21H2,1-3H3
InChIKeyKVQPAKAWHJBWEB-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-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-heptyl-1-hexyl-3-undecyl-2H-imidazole
CID 69389908
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

Frequently Asked Questions

What is the IUPAC name of 2-heptyl-1-nonyl-3-pentyl-2H-imidazole?
The IUPAC name of 2-heptyl-1-nonyl-3-pentyl-2H-imidazole (CID 69388451) is 2-heptyl-1-nonyl-3-pentyl-2H-imidazole.
What is the SMILES notation for 2-heptyl-1-nonyl-3-pentyl-2H-imidazole?
The canonical SMILES for 2-heptyl-1-nonyl-3-pentyl-2H-imidazole is CCCCCCCCCN1C=CN(CCCCC)C1CCCCCCC.
What is the InChIKey of 2-heptyl-1-nonyl-3-pentyl-2H-imidazole?
The InChIKey is KVQPAKAWHJBWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N2/c1-4-7-10-12-13-15-18-21-26-23-22-25(20-17-9-6-3)24(26)19-16-14-11-8-5-2/h22-24H,4-21H2,1-3H3.
What are the key properties of 2-heptyl-1-nonyl-3-pentyl-2H-imidazole?
2-heptyl-1-nonyl-3-pentyl-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-heptyl-1-nonyl-3-pentyl-2H-imidazole is sourced from PubChem (CID 69388451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).