1-hexadecyl-2-octyl-3-phenyl-2H-imidazole

C33H58N2 — CID 69393141

IUPAC1-hexadecyl-2-octyl-3-phenyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCN1C=CN(c2ccccc2)C1CCCCCCCC
InChIInChI=1S/C33H58N2/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-25-29-34-30-31-35(32-26-22-21-23-27-32)33(34)28-24-19-10-8-6-4-2/h21-23,26-27,30-31,33H,3-20,24-25,28-29H2,1-2H3
InChIKeyIXCHXBCOPMYHLK-UHFFFAOYSA-N
MW482.84 g/mol
LogP10.84
Rot. Bonds23

About 1-hexadecyl-2-octyl-3-phenyl-2H-imidazole

1-hexadecyl-2-octyl-3-phenyl-2H-imidazole (PubChem CID 69393141) has the molecular formula C33H58N2 and a molecular weight of 482.84 g/mol. Its IUPAC name is 1-hexadecyl-2-octyl-3-phenyl-2H-imidazole.

Molecular Properties

Compound Name1-hexadecyl-2-octyl-3-phenyl-2H-imidazole
PubChem CID69393141
Molecular FormulaC33H58N2
Molecular Weight482.84 g/mol
Exact Mass482.46
IUPAC Name1-hexadecyl-2-octyl-3-phenyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCN1C=CN(c2ccccc2)C1CCCCCCCC
InChIInChI=1S/C33H58N2/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-25-29-34-30-31-35(32-26-22-21-23-27-32)33(34)28-24-19-10-8-6-4-2/h21-23,26-27,30-31,33H,3-20,24-25,28-29H2,1-2H3
InChIKeyIXCHXBCOPMYHLK-UHFFFAOYSA-N
XLogP10.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.84
LogP ≤ 510.84
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-pentyl-3-phenyl-2H-imidazole
CID 69393582
2-hexadecyl-1-phenyl-3-tridecyl-2H-imidazole
CID 69392200
1-heptyl-2-nonyl-3-phenyl-2H-imidazole
CID 69397163
1-butyl-2-heptadecyl-3-phenyl-2H-imidazole
CID 69396809
2-butyl-1-phenyl-3-propyl-2H-imidazole
CID 69395415
2-benzyl-1-hexadecyl-3-phenyl-2H-imidazole
CID 69397913
2-benzyl-1-heptadecyl-3-phenyl-2H-imidazole
CID 69389731
1-phenyl-2,3-dipropyl-2H-imidazole
CID 69387421
1-benzyl-3-hexyl-2-undecyl-2H-imidazole
CID 69393351
1-benzyl-3-heptadecyl-2-octadecyl-2H-imidazole
CID 69396806
1-benzyl-2-hexyl-3-undecyl-2H-imidazole
CID 69393287
1-benzyl-3-nonyl-2-tetradecyl-2H-imidazole
CID 69390008

Frequently Asked Questions

What is the IUPAC name of 1-hexadecyl-2-octyl-3-phenyl-2H-imidazole?
The IUPAC name of 1-hexadecyl-2-octyl-3-phenyl-2H-imidazole (CID 69393141) is 1-hexadecyl-2-octyl-3-phenyl-2H-imidazole.
What is the SMILES notation for 1-hexadecyl-2-octyl-3-phenyl-2H-imidazole?
The canonical SMILES for 1-hexadecyl-2-octyl-3-phenyl-2H-imidazole is CCCCCCCCCCCCCCCCN1C=CN(c2ccccc2)C1CCCCCCCC.
What is the InChIKey of 1-hexadecyl-2-octyl-3-phenyl-2H-imidazole?
The InChIKey is IXCHXBCOPMYHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H58N2/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-25-29-34-30-31-35(32-26-22-21-23-27-32)33(34)28-24-19-10-8-6-4-2/h21-23,26-27,30-31,33H,3-20,24-25,28-29H2,1-2H3.
What are the key properties of 1-hexadecyl-2-octyl-3-phenyl-2H-imidazole?
1-hexadecyl-2-octyl-3-phenyl-2H-imidazole has a molecular weight of 482.84 g/mol, XLogP of 10.84, 23 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexadecyl-2-octyl-3-phenyl-2H-imidazole is sourced from PubChem (CID 69393141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).