1-benzyl-2-ethyl-3-nonyl-2H-imidazole

C21H34N2 — CID 69394728

IUPAC1-benzyl-2-ethyl-3-nonyl-2H-imidazole
SMILESCCCCCCCCCN1C=CN(Cc2ccccc2)C1CC
InChIInChI=1S/C21H34N2/c1-3-5-6-7-8-9-13-16-22-17-18-23(21(22)4-2)19-20-14-11-10-12-15-20/h10-12,14-15,17-18,21H,3-9,13,16,19H2,1-2H3
InChIKeyMJLMEXVWZNLOPJ-UHFFFAOYSA-N
MW314.52 g/mol
LogP5.76
Rot. Bonds11

About 1-benzyl-2-ethyl-3-nonyl-2H-imidazole

1-benzyl-2-ethyl-3-nonyl-2H-imidazole (PubChem CID 69394728) has the molecular formula C21H34N2 and a molecular weight of 314.52 g/mol. Its IUPAC name is 1-benzyl-2-ethyl-3-nonyl-2H-imidazole.

Molecular Properties

Compound Name1-benzyl-2-ethyl-3-nonyl-2H-imidazole
PubChem CID69394728
Molecular FormulaC21H34N2
Molecular Weight314.52 g/mol
Exact Mass314.27
IUPAC Name1-benzyl-2-ethyl-3-nonyl-2H-imidazole
SMILESCCCCCCCCCN1C=CN(Cc2ccccc2)C1CC
InChIInChI=1S/C21H34N2/c1-3-5-6-7-8-9-13-16-22-17-18-23(21(22)4-2)19-20-14-11-10-12-15-20/h10-12,14-15,17-18,21H,3-9,13,16,19H2,1-2H3
InChIKeyMJLMEXVWZNLOPJ-UHFFFAOYSA-N
XLogP5.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.52
LogP ≤ 55.76
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-benzyl-2-ethyl-3-hexadecyl-2H-imidazole
CID 69390745
1-benzyl-3-decyl-2-pentyl-2H-imidazole
CID 69395313
1-benzyl-2-pentadecyl-3-tridecyl-2H-imidazole
CID 69392312
1-benzyl-3-heptadecyl-2-octadecyl-2H-imidazole
CID 69396806
1,2-dibenzyl-3-tetradecyl-2H-imidazole
CID 69395728
1-benzyl-2-hexyl-3-undecyl-2H-imidazole
CID 69393287
1-benzyl-3-nonyl-2-tetradecyl-2H-imidazole
CID 69390008
1,2-dibenzyl-3-decyl-2H-imidazole
CID 69396615
1-benzyl-3-hexyl-2-undecyl-2H-imidazole
CID 69393351
1-benzyl-2-butyl-3-nonadecyl-2H-imidazole
CID 69397279
1-benzyl-3-hexadecyl-2-tridecyl-2H-imidazole
CID 69388432
1-benzyl-2-hexadecyl-3-pentyl-2H-imidazole
CID 69389183

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-ethyl-3-nonyl-2H-imidazole?
The IUPAC name of 1-benzyl-2-ethyl-3-nonyl-2H-imidazole (CID 69394728) is 1-benzyl-2-ethyl-3-nonyl-2H-imidazole.
What is the SMILES notation for 1-benzyl-2-ethyl-3-nonyl-2H-imidazole?
The canonical SMILES for 1-benzyl-2-ethyl-3-nonyl-2H-imidazole is CCCCCCCCCN1C=CN(Cc2ccccc2)C1CC.
What is the InChIKey of 1-benzyl-2-ethyl-3-nonyl-2H-imidazole?
The InChIKey is MJLMEXVWZNLOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2/c1-3-5-6-7-8-9-13-16-22-17-18-23(21(22)4-2)19-20-14-11-10-12-15-20/h10-12,14-15,17-18,21H,3-9,13,16,19H2,1-2H3.
What are the key properties of 1-benzyl-2-ethyl-3-nonyl-2H-imidazole?
1-benzyl-2-ethyl-3-nonyl-2H-imidazole has a molecular weight of 314.52 g/mol, XLogP of 5.76, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-ethyl-3-nonyl-2H-imidazole is sourced from PubChem (CID 69394728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).