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

C32H56N2 — CID 69390224

IUPAC1-butyl-3-nonadecyl-2-phenyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCCCCN1C=CN(CCCC)C1c1ccccc1
InChIInChI=1S/C32H56N2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-28-34-30-29-33(27-6-4-2)32(34)31-25-22-21-23-26-31/h21-23,25-26,29-30,32H,3-20,24,27-28H2,1-2H3
InChIKeyAJUSSFOLPXLFLO-UHFFFAOYSA-N
MW468.81 g/mol
LogP10.23
Rot. Bonds22

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

1-butyl-3-nonadecyl-2-phenyl-2H-imidazole (PubChem CID 69390224) has the molecular formula C32H56N2 and a molecular weight of 468.81 g/mol. Its IUPAC name is 1-butyl-3-nonadecyl-2-phenyl-2H-imidazole.

Molecular Properties

Compound Name1-butyl-3-nonadecyl-2-phenyl-2H-imidazole
PubChem CID69390224
Molecular FormulaC32H56N2
Molecular Weight468.81 g/mol
Exact Mass468.44
IUPAC Name1-butyl-3-nonadecyl-2-phenyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCCCCN1C=CN(CCCC)C1c1ccccc1
InChIInChI=1S/C32H56N2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-28-34-30-29-33(27-6-4-2)32(34)31-25-22-21-23-26-31/h21-23,25-26,29-30,32H,3-20,24,27-28H2,1-2H3
InChIKeyAJUSSFOLPXLFLO-UHFFFAOYSA-N
XLogP10.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.81
LogP ≤ 510.23
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-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-nonadecyl-2-phenyl-3-propyl-2H-imidazole
CID 69392531
1-decyl-2-phenyl-3-propyl-2H-imidazole
CID 69389510
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-butyl-3-nonadecyl-2-phenyl-2H-imidazole?
The IUPAC name of 1-butyl-3-nonadecyl-2-phenyl-2H-imidazole (CID 69390224) is 1-butyl-3-nonadecyl-2-phenyl-2H-imidazole.
What is the SMILES notation for 1-butyl-3-nonadecyl-2-phenyl-2H-imidazole?
The canonical SMILES for 1-butyl-3-nonadecyl-2-phenyl-2H-imidazole is CCCCCCCCCCCCCCCCCCCN1C=CN(CCCC)C1c1ccccc1.
What is the InChIKey of 1-butyl-3-nonadecyl-2-phenyl-2H-imidazole?
The InChIKey is AJUSSFOLPXLFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H56N2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-28-34-30-29-33(27-6-4-2)32(34)31-25-22-21-23-26-31/h21-23,25-26,29-30,32H,3-20,24,27-28H2,1-2H3.
What are the key properties of 1-butyl-3-nonadecyl-2-phenyl-2H-imidazole?
1-butyl-3-nonadecyl-2-phenyl-2H-imidazole has a molecular weight of 468.81 g/mol, XLogP of 10.23, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-nonadecyl-2-phenyl-2H-imidazole is sourced from PubChem (CID 69390224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).