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

C28H48N2 — CID 69390745

IUPAC1-benzyl-2-ethyl-3-hexadecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCN1C=CN(Cc2ccccc2)C1CC
InChIInChI=1S/C28H48N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-23-29-24-25-30(28(29)4-2)26-27-21-18-17-19-22-27/h17-19,21-22,24-25,28H,3-16,20,23,26H2,1-2H3
InChIKeyLSWGNMKKAHCWNB-UHFFFAOYSA-N
MW412.71 g/mol
LogP8.49
Rot. Bonds18

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

1-benzyl-2-ethyl-3-hexadecyl-2H-imidazole (PubChem CID 69390745) has the molecular formula C28H48N2 and a molecular weight of 412.71 g/mol. Its IUPAC name is 1-benzyl-2-ethyl-3-hexadecyl-2H-imidazole.

Molecular Properties

Compound Name1-benzyl-2-ethyl-3-hexadecyl-2H-imidazole
PubChem CID69390745
Molecular FormulaC28H48N2
Molecular Weight412.71 g/mol
Exact Mass412.38
IUPAC Name1-benzyl-2-ethyl-3-hexadecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCN1C=CN(Cc2ccccc2)C1CC
InChIInChI=1S/C28H48N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-23-29-24-25-30(28(29)4-2)26-27-21-18-17-19-22-27/h17-19,21-22,24-25,28H,3-16,20,23,26H2,1-2H3
InChIKeyLSWGNMKKAHCWNB-UHFFFAOYSA-N
XLogP8.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.71
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-benzyl-2-ethyl-3-hexadecyl-2H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-2-ethyl-3-nonyl-2H-imidazole
CID 69394728
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-benzyl-3-decyl-2-pentyl-2H-imidazole
CID 69395313
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-hexadecyl-2H-imidazole?
The IUPAC name of 1-benzyl-2-ethyl-3-hexadecyl-2H-imidazole (CID 69390745) is 1-benzyl-2-ethyl-3-hexadecyl-2H-imidazole.
What is the SMILES notation for 1-benzyl-2-ethyl-3-hexadecyl-2H-imidazole?
The canonical SMILES for 1-benzyl-2-ethyl-3-hexadecyl-2H-imidazole is CCCCCCCCCCCCCCCCN1C=CN(Cc2ccccc2)C1CC.
What is the InChIKey of 1-benzyl-2-ethyl-3-hexadecyl-2H-imidazole?
The InChIKey is LSWGNMKKAHCWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H48N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-23-29-24-25-30(28(29)4-2)26-27-21-18-17-19-22-27/h17-19,21-22,24-25,28H,3-16,20,23,26H2,1-2H3.
What are the key properties of 1-benzyl-2-ethyl-3-hexadecyl-2H-imidazole?
1-benzyl-2-ethyl-3-hexadecyl-2H-imidazole has a molecular weight of 412.71 g/mol, XLogP of 8.49, 18 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-hexadecyl-2H-imidazole is sourced from PubChem (CID 69390745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).