2-hexyl-1-octadecyl-3-pentyl-2H-imidazole

C32H64N2 — CID 69390682

IUPAC2-hexyl-1-octadecyl-3-pentyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCCCN1C=CN(CCCCC)C1CCCCCC
InChIInChI=1S/C32H64N2/c1-4-7-10-12-13-14-15-16-17-18-19-20-21-22-23-26-29-34-31-30-33(28-25-9-6-3)32(34)27-24-11-8-5-2/h30-32H,4-29H2,1-3H3
InChIKeyKWRWXYNFPXGHPU-UHFFFAOYSA-N
MW476.88 g/mol
LogP10.82
Rot. Bonds26

About 2-hexyl-1-octadecyl-3-pentyl-2H-imidazole

2-hexyl-1-octadecyl-3-pentyl-2H-imidazole (PubChem CID 69390682) has the molecular formula C32H64N2 and a molecular weight of 476.88 g/mol. Its IUPAC name is 2-hexyl-1-octadecyl-3-pentyl-2H-imidazole.

Molecular Properties

Compound Name2-hexyl-1-octadecyl-3-pentyl-2H-imidazole
PubChem CID69390682
Molecular FormulaC32H64N2
Molecular Weight476.88 g/mol
Exact Mass476.51
IUPAC Name2-hexyl-1-octadecyl-3-pentyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCCCN1C=CN(CCCCC)C1CCCCCC
InChIInChI=1S/C32H64N2/c1-4-7-10-12-13-14-15-16-17-18-19-20-21-22-23-26-29-34-31-30-33(28-25-9-6-3)32(34)27-24-11-8-5-2/h30-32H,4-29H2,1-3H3
InChIKeyKWRWXYNFPXGHPU-UHFFFAOYSA-N
XLogP10.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.88
LogP ≤ 510.82
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-hexyl-1-octadecyl-3-pentyl-2H-imidazole?
The IUPAC name of 2-hexyl-1-octadecyl-3-pentyl-2H-imidazole (CID 69390682) is 2-hexyl-1-octadecyl-3-pentyl-2H-imidazole.
What is the SMILES notation for 2-hexyl-1-octadecyl-3-pentyl-2H-imidazole?
The canonical SMILES for 2-hexyl-1-octadecyl-3-pentyl-2H-imidazole is CCCCCCCCCCCCCCCCCCN1C=CN(CCCCC)C1CCCCCC.
What is the InChIKey of 2-hexyl-1-octadecyl-3-pentyl-2H-imidazole?
The InChIKey is KWRWXYNFPXGHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H64N2/c1-4-7-10-12-13-14-15-16-17-18-19-20-21-22-23-26-29-34-31-30-33(28-25-9-6-3)32(34)27-24-11-8-5-2/h30-32H,4-29H2,1-3H3.
What are the key properties of 2-hexyl-1-octadecyl-3-pentyl-2H-imidazole?
2-hexyl-1-octadecyl-3-pentyl-2H-imidazole has a molecular weight of 476.88 g/mol, XLogP of 10.82, 26 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-1-octadecyl-3-pentyl-2H-imidazole is sourced from PubChem (CID 69390682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).