1-benzyl-3-decyl-2H-imidazole

C20H32N2 — CID 69393600

IUPAC1-benzyl-3-decyl-2H-imidazole
SMILESCCCCCCCCCCN1C=CN(Cc2ccccc2)C1
InChIInChI=1S/C20H32N2/c1-2-3-4-5-6-7-8-12-15-21-16-17-22(19-21)18-20-13-10-9-11-14-20/h9-11,13-14,16-17H,2-8,12,15,18-19H2,1H3
InChIKeyNWUYCZDZQRNWBX-UHFFFAOYSA-N
MW300.49 g/mol
LogP5.37
Rot. Bonds11

About 1-benzyl-3-decyl-2H-imidazole

1-benzyl-3-decyl-2H-imidazole (PubChem CID 69393600) has the molecular formula C20H32N2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 1-benzyl-3-decyl-2H-imidazole.

Molecular Properties

Compound Name1-benzyl-3-decyl-2H-imidazole
PubChem CID69393600
Molecular FormulaC20H32N2
Molecular Weight300.49 g/mol
Exact Mass300.26
IUPAC Name1-benzyl-3-decyl-2H-imidazole
SMILESCCCCCCCCCCN1C=CN(Cc2ccccc2)C1
InChIInChI=1S/C20H32N2/c1-2-3-4-5-6-7-8-12-15-21-16-17-22(19-21)18-20-13-10-9-11-14-20/h9-11,13-14,16-17H,2-8,12,15,18-19H2,1H3
InChIKeyNWUYCZDZQRNWBX-UHFFFAOYSA-N
XLogP5.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.49
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-benzyl-3-decyl-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-pentadecyl-3-tridecyl-2H-imidazole
CID 69396629
1-hexadecyl-3-octadecyl-2H-imidazole
CID 68970156
1-heptyl-3-nonyl-2H-imidazole
CID 69393199
1-nonyl-3-undecyl-2H-imidazole
CID 69391482
1-dodecyl-3-octadecyl-2H-imidazole
CID 68899578
1-octyl-3-undecyl-2H-imidazole
CID 69389433
1-hexyl-3-nonadecyl-2H-imidazole
CID 69396204
1,3-di(nonyl)-2H-imidazole
CID 69395396
1-hexyl-3-octadecyl-2H-imidazole
CID 68966514
1-octyl-3-phenyl-2H-imidazole
CID 69387944
1-[3-(4-chlorophenyl)propyl]-3-heptyl-2H-imidazole;hydrobromide
CID 173367488
1-decyl-3-ethyl-2H-imidazole
CID 19864130

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-decyl-2H-imidazole?
The IUPAC name of 1-benzyl-3-decyl-2H-imidazole (CID 69393600) is 1-benzyl-3-decyl-2H-imidazole.
What is the SMILES notation for 1-benzyl-3-decyl-2H-imidazole?
The canonical SMILES for 1-benzyl-3-decyl-2H-imidazole is CCCCCCCCCCN1C=CN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-decyl-2H-imidazole?
The InChIKey is NWUYCZDZQRNWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2/c1-2-3-4-5-6-7-8-12-15-21-16-17-22(19-21)18-20-13-10-9-11-14-20/h9-11,13-14,16-17H,2-8,12,15,18-19H2,1H3.
What are the key properties of 1-benzyl-3-decyl-2H-imidazole?
1-benzyl-3-decyl-2H-imidazole has a molecular weight of 300.49 g/mol, XLogP of 5.37, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-decyl-2H-imidazole is sourced from PubChem (CID 69393600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).