1-benzyl-2-propan-2-yl-3-tridecyl-2H-imidazole

C26H44N2 — CID 69389284

IUPAC1-benzyl-2-propan-2-yl-3-tridecyl-2H-imidazole
SMILESCCCCCCCCCCCCCN1C=CN(Cc2ccccc2)C1C(C)C
InChIInChI=1S/C26H44N2/c1-4-5-6-7-8-9-10-11-12-13-17-20-27-21-22-28(26(27)24(2)3)23-25-18-15-14-16-19-25/h14-16,18-19,21-22,24,26H,4-13,17,20,23H2,1-3H3
InChIKeyVQKBAPGDKKGCNN-UHFFFAOYSA-N
MW384.65 g/mol
LogP7.57
Rot. Bonds15

About 1-benzyl-2-propan-2-yl-3-tridecyl-2H-imidazole

1-benzyl-2-propan-2-yl-3-tridecyl-2H-imidazole (PubChem CID 69389284) has the molecular formula C26H44N2 and a molecular weight of 384.65 g/mol. Its IUPAC name is 1-benzyl-2-propan-2-yl-3-tridecyl-2H-imidazole.

Molecular Properties

Compound Name1-benzyl-2-propan-2-yl-3-tridecyl-2H-imidazole
PubChem CID69389284
Molecular FormulaC26H44N2
Molecular Weight384.65 g/mol
Exact Mass384.35
IUPAC Name1-benzyl-2-propan-2-yl-3-tridecyl-2H-imidazole
SMILESCCCCCCCCCCCCCN1C=CN(Cc2ccccc2)C1C(C)C
InChIInChI=1S/C26H44N2/c1-4-5-6-7-8-9-10-11-12-13-17-20-27-21-22-28(26(27)24(2)3)23-25-18-15-14-16-19-25/h14-16,18-19,21-22,24,26H,4-13,17,20,23H2,1-3H3
InChIKeyVQKBAPGDKKGCNN-UHFFFAOYSA-N
XLogP7.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.65
LogP ≤ 57.57
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-octyl-2-propan-2-yl-2H-imidazole
CID 69391159
1-nonyl-3-pentyl-2-propan-2-yl-2H-imidazole
CID 69397364
1-dodecyl-3-heptyl-2-propan-2-yl-2H-imidazole
CID 69393125
1-heptadecyl-3-heptyl-2-propan-2-yl-2H-imidazole
CID 69387857
1-octyl-2-propan-2-yl-3-undecyl-2H-imidazole
CID 69392585
1-heptyl-2-propan-2-yl-3-undecyl-2H-imidazole
CID 69392910
1-butyl-3-heptyl-2-propan-2-yl-2H-imidazole
CID 69390605
2-propan-2-yl-1-propyl-3-tridecyl-2H-imidazole
CID 69395899
1-benzyl-2-ethyl-3-hexadecyl-2H-imidazole
CID 69390745
1-benzyl-2-ethyl-3-nonyl-2H-imidazole
CID 69394728
1-benzyl-2-butyl-3-nonadecyl-2H-imidazole
CID 69397279
1-benzyl-3-hexyl-2-undecyl-2H-imidazole
CID 69393351

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-propan-2-yl-3-tridecyl-2H-imidazole?
The IUPAC name of 1-benzyl-2-propan-2-yl-3-tridecyl-2H-imidazole (CID 69389284) is 1-benzyl-2-propan-2-yl-3-tridecyl-2H-imidazole.
What is the SMILES notation for 1-benzyl-2-propan-2-yl-3-tridecyl-2H-imidazole?
The canonical SMILES for 1-benzyl-2-propan-2-yl-3-tridecyl-2H-imidazole is CCCCCCCCCCCCCN1C=CN(Cc2ccccc2)C1C(C)C.
What is the InChIKey of 1-benzyl-2-propan-2-yl-3-tridecyl-2H-imidazole?
The InChIKey is VQKBAPGDKKGCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44N2/c1-4-5-6-7-8-9-10-11-12-13-17-20-27-21-22-28(26(27)24(2)3)23-25-18-15-14-16-19-25/h14-16,18-19,21-22,24,26H,4-13,17,20,23H2,1-3H3.
What are the key properties of 1-benzyl-2-propan-2-yl-3-tridecyl-2H-imidazole?
1-benzyl-2-propan-2-yl-3-tridecyl-2H-imidazole has a molecular weight of 384.65 g/mol, XLogP of 7.57, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-propan-2-yl-3-tridecyl-2H-imidazole is sourced from PubChem (CID 69389284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).