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

C33H50N2 — CID 69389731

IUPAC2-benzyl-1-heptadecyl-3-phenyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCCN1C=CN(c2ccccc2)C1Cc1ccccc1
InChIInChI=1S/C33H50N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-27-34-28-29-35(32-25-20-17-21-26-32)33(34)30-31-23-18-16-19-24-31/h16-21,23-26,28-29,33H,2-15,22,27,30H2,1H3
InChIKeyNIQVUVXXCZADCQ-UHFFFAOYSA-N
MW474.78 g/mol
LogP9.72
Rot. Bonds19

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

2-benzyl-1-heptadecyl-3-phenyl-2H-imidazole (PubChem CID 69389731) has the molecular formula C33H50N2 and a molecular weight of 474.78 g/mol. Its IUPAC name is 2-benzyl-1-heptadecyl-3-phenyl-2H-imidazole.

Molecular Properties

Compound Name2-benzyl-1-heptadecyl-3-phenyl-2H-imidazole
PubChem CID69389731
Molecular FormulaC33H50N2
Molecular Weight474.78 g/mol
Exact Mass474.40
IUPAC Name2-benzyl-1-heptadecyl-3-phenyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCCN1C=CN(c2ccccc2)C1Cc1ccccc1
InChIInChI=1S/C33H50N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-27-34-28-29-35(32-25-20-17-21-26-32)33(34)30-31-23-18-16-19-24-31/h16-21,23-26,28-29,33H,2-15,22,27,30H2,1H3
InChIKeyNIQVUVXXCZADCQ-UHFFFAOYSA-N
XLogP9.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.78
LogP ≤ 59.72
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

2-benzyl-1-hexadecyl-3-phenyl-2H-imidazole
CID 69397913
2-benzyl-1-dodecyl-3-nonadecyl-2H-imidazole
CID 69388408
2-benzyl-1-decyl-3-hexadecyl-2H-imidazole
CID 69396919
1-hexadecyl-2-octyl-3-phenyl-2H-imidazole
CID 69393141
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
2-benzyl-1-nonyl-3-propyl-2H-imidazole
CID 69393422
1,2-dibenzyl-3-decyl-2H-imidazole
CID 69396615
1-butyl-2-heptadecyl-3-phenyl-2H-imidazole
CID 69396809
1,2-dibenzyl-3-tetradecyl-2H-imidazole
CID 69395728
2-benzyl-1-ethyl-3-phenyl-2H-imidazole
CID 69388914

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-heptadecyl-3-phenyl-2H-imidazole?
The IUPAC name of 2-benzyl-1-heptadecyl-3-phenyl-2H-imidazole (CID 69389731) is 2-benzyl-1-heptadecyl-3-phenyl-2H-imidazole.
What is the SMILES notation for 2-benzyl-1-heptadecyl-3-phenyl-2H-imidazole?
The canonical SMILES for 2-benzyl-1-heptadecyl-3-phenyl-2H-imidazole is CCCCCCCCCCCCCCCCCN1C=CN(c2ccccc2)C1Cc1ccccc1.
What is the InChIKey of 2-benzyl-1-heptadecyl-3-phenyl-2H-imidazole?
The InChIKey is NIQVUVXXCZADCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H50N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-27-34-28-29-35(32-25-20-17-21-26-32)33(34)30-31-23-18-16-19-24-31/h16-21,23-26,28-29,33H,2-15,22,27,30H2,1H3.
What are the key properties of 2-benzyl-1-heptadecyl-3-phenyl-2H-imidazole?
2-benzyl-1-heptadecyl-3-phenyl-2H-imidazole has a molecular weight of 474.78 g/mol, XLogP of 9.72, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-heptadecyl-3-phenyl-2H-imidazole is sourced from PubChem (CID 69389731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).