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

C45H82N2 — CID 69388930

IUPAC1-heptadecyl-3-nonadecyl-2-phenyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCCCCN1C=CN(CCCCCCCCCCCCCCCCC)C1c1ccccc1
InChIInChI=1S/C45H82N2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-37-41-47-43-42-46(45(47)44-38-34-33-35-39-44)40-36-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h33-35,38-39,42-43,45H,3-32,36-37,40-41H2,1-2H3
InChIKeyIUBRNJWRQMAHKK-UHFFFAOYSA-N
MW651.17 g/mol
LogP15.30
Rot. Bonds35

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

1-heptadecyl-3-nonadecyl-2-phenyl-2H-imidazole (PubChem CID 69388930) has the molecular formula C45H82N2 and a molecular weight of 651.17 g/mol. Its IUPAC name is 1-heptadecyl-3-nonadecyl-2-phenyl-2H-imidazole.

Molecular Properties

Compound Name1-heptadecyl-3-nonadecyl-2-phenyl-2H-imidazole
PubChem CID69388930
Molecular FormulaC45H82N2
Molecular Weight651.17 g/mol
Exact Mass650.65
IUPAC Name1-heptadecyl-3-nonadecyl-2-phenyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCCCCN1C=CN(CCCCCCCCCCCCCCCCC)C1c1ccccc1
InChIInChI=1S/C45H82N2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-37-41-47-43-42-46(45(47)44-38-34-33-35-39-44)40-36-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h33-35,38-39,42-43,45H,3-32,36-37,40-41H2,1-2H3
InChIKeyIUBRNJWRQMAHKK-UHFFFAOYSA-N
XLogP15.30
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds35
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.17
LogP ≤ 515.30
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-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-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-heptadecyl-3-nonadecyl-2-phenyl-2H-imidazole?
The IUPAC name of 1-heptadecyl-3-nonadecyl-2-phenyl-2H-imidazole (CID 69388930) is 1-heptadecyl-3-nonadecyl-2-phenyl-2H-imidazole.
What is the SMILES notation for 1-heptadecyl-3-nonadecyl-2-phenyl-2H-imidazole?
The canonical SMILES for 1-heptadecyl-3-nonadecyl-2-phenyl-2H-imidazole is CCCCCCCCCCCCCCCCCCCN1C=CN(CCCCCCCCCCCCCCCCC)C1c1ccccc1.
What is the InChIKey of 1-heptadecyl-3-nonadecyl-2-phenyl-2H-imidazole?
The InChIKey is IUBRNJWRQMAHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H82N2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-37-41-47-43-42-46(45(47)44-38-34-33-35-39-44)40-36-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h33-35,38-39,42-43,45H,3-32,36-37,40-41H2,1-2H3.
What are the key properties of 1-heptadecyl-3-nonadecyl-2-phenyl-2H-imidazole?
1-heptadecyl-3-nonadecyl-2-phenyl-2H-imidazole has a molecular weight of 651.17 g/mol, XLogP of 15.30, 35 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptadecyl-3-nonadecyl-2-phenyl-2H-imidazole is sourced from PubChem (CID 69388930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).