1-nonadecyl-2-phenyl-3-propyl-2H-imidazole

C31H54N2 — CID 69392531

IUPAC1-nonadecyl-2-phenyl-3-propyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCCCCN1C=CN(CCC)C1c1ccccc1
InChIInChI=1S/C31H54N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-27-33-29-28-32(26-4-2)31(33)30-24-21-20-22-25-30/h20-22,24-25,28-29,31H,3-19,23,26-27H2,1-2H3
InChIKeyZJQUQXJIJWQNAC-UHFFFAOYSA-N
MW454.79 g/mol
LogP9.84
Rot. Bonds21

About 1-nonadecyl-2-phenyl-3-propyl-2H-imidazole

1-nonadecyl-2-phenyl-3-propyl-2H-imidazole (PubChem CID 69392531) has the molecular formula C31H54N2 and a molecular weight of 454.79 g/mol. Its IUPAC name is 1-nonadecyl-2-phenyl-3-propyl-2H-imidazole.

Molecular Properties

Compound Name1-nonadecyl-2-phenyl-3-propyl-2H-imidazole
PubChem CID69392531
Molecular FormulaC31H54N2
Molecular Weight454.79 g/mol
Exact Mass454.43
IUPAC Name1-nonadecyl-2-phenyl-3-propyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCCCCN1C=CN(CCC)C1c1ccccc1
InChIInChI=1S/C31H54N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-27-33-29-28-32(26-4-2)31(33)30-24-21-20-22-25-30/h20-22,24-25,28-29,31H,3-19,23,26-27H2,1-2H3
InChIKeyZJQUQXJIJWQNAC-UHFFFAOYSA-N
XLogP9.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.79
LogP ≤ 59.84
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-decyl-2-phenyl-3-propyl-2H-imidazole
CID 69389510
1-dodecyl-3-nonadecyl-2-phenyl-2H-imidazole
CID 69388228
2-phenyl-1-tetradecyl-3-tridecyl-2H-imidazole
CID 69390233
1-heptadecyl-3-nonadecyl-2-phenyl-2H-imidazole
CID 69388930
1-dodecyl-3-pentyl-2-phenyl-2H-imidazole
CID 69395234
1-nonadecyl-2-phenyl-3-undecyl-2H-imidazole
CID 69392101
1-nonadecyl-3-pentyl-2-phenyl-2H-imidazole
CID 69388313
1-butyl-3-nonadecyl-2-phenyl-2H-imidazole
CID 69390224
1-benzyl-3-hexadecyl-2-phenyl-2H-imidazole
CID 69396098
1-dodecyl-2-phenyl-3-propan-2-yl-2H-imidazole
CID 69394417
1-butyl-3-(pentoxymethyl)-2-phenyl-2H-imidazole
CID 71340636
1-butyl-2,3-diphenyl-2H-imidazole
CID 69391122

Frequently Asked Questions

What is the IUPAC name of 1-nonadecyl-2-phenyl-3-propyl-2H-imidazole?
The IUPAC name of 1-nonadecyl-2-phenyl-3-propyl-2H-imidazole (CID 69392531) is 1-nonadecyl-2-phenyl-3-propyl-2H-imidazole.
What is the SMILES notation for 1-nonadecyl-2-phenyl-3-propyl-2H-imidazole?
The canonical SMILES for 1-nonadecyl-2-phenyl-3-propyl-2H-imidazole is CCCCCCCCCCCCCCCCCCCN1C=CN(CCC)C1c1ccccc1.
What is the InChIKey of 1-nonadecyl-2-phenyl-3-propyl-2H-imidazole?
The InChIKey is ZJQUQXJIJWQNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H54N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-27-33-29-28-32(26-4-2)31(33)30-24-21-20-22-25-30/h20-22,24-25,28-29,31H,3-19,23,26-27H2,1-2H3.
What are the key properties of 1-nonadecyl-2-phenyl-3-propyl-2H-imidazole?
1-nonadecyl-2-phenyl-3-propyl-2H-imidazole has a molecular weight of 454.79 g/mol, XLogP of 9.84, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonadecyl-2-phenyl-3-propyl-2H-imidazole is sourced from PubChem (CID 69392531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).