1,2-dibenzyl-3-pentyl-2H-imidazole

C22H28N2 — CID 69393781

IUPAC1,2-dibenzyl-3-pentyl-2H-imidazole
SMILESCCCCCN1C=CN(Cc2ccccc2)C1Cc1ccccc1
InChIInChI=1S/C22H28N2/c1-2-3-10-15-23-16-17-24(19-21-13-8-5-9-14-21)22(23)18-20-11-6-4-7-12-20/h4-9,11-14,16-17,22H,2-3,10,15,18-19H2,1H3
InChIKeyJTZJOAATJPZJEZ-UHFFFAOYSA-N
MW320.48 g/mol
LogP5.03
Rot. Bonds8

About 1,2-dibenzyl-3-pentyl-2H-imidazole

1,2-dibenzyl-3-pentyl-2H-imidazole (PubChem CID 69393781) has the molecular formula C22H28N2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 1,2-dibenzyl-3-pentyl-2H-imidazole.

Molecular Properties

Compound Name1,2-dibenzyl-3-pentyl-2H-imidazole
PubChem CID69393781
Molecular FormulaC22H28N2
Molecular Weight320.48 g/mol
Exact Mass320.23
IUPAC Name1,2-dibenzyl-3-pentyl-2H-imidazole
SMILESCCCCCN1C=CN(Cc2ccccc2)C1Cc1ccccc1
InChIInChI=1S/C22H28N2/c1-2-3-10-15-23-16-17-24(19-21-13-8-5-9-14-21)22(23)18-20-11-6-4-7-12-20/h4-9,11-14,16-17,22H,2-3,10,15,18-19H2,1H3
InChIKeyJTZJOAATJPZJEZ-UHFFFAOYSA-N
XLogP5.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.48
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,2-dibenzyl-3-pentyl-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

1,2-dibenzyl-3-tetradecyl-2H-imidazole
CID 69395728
1,2-dibenzyl-3-decyl-2H-imidazole
CID 69396615
2-benzyl-1-decyl-3-hexadecyl-2H-imidazole
CID 69396919
2-benzyl-1-dodecyl-3-nonadecyl-2H-imidazole
CID 69388408
2-benzyl-1-nonyl-3-propyl-2H-imidazole
CID 69393422
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
1-benzyl-2-pentadecyl-3-tridecyl-2H-imidazole
CID 69392312
1-benzyl-2-hexyl-3-undecyl-2H-imidazole
CID 69393287
1-benzyl-3-nonyl-2-tetradecyl-2H-imidazole
CID 69390008

Frequently Asked Questions

What is the IUPAC name of 1,2-dibenzyl-3-pentyl-2H-imidazole?
The IUPAC name of 1,2-dibenzyl-3-pentyl-2H-imidazole (CID 69393781) is 1,2-dibenzyl-3-pentyl-2H-imidazole.
What is the SMILES notation for 1,2-dibenzyl-3-pentyl-2H-imidazole?
The canonical SMILES for 1,2-dibenzyl-3-pentyl-2H-imidazole is CCCCCN1C=CN(Cc2ccccc2)C1Cc1ccccc1.
What is the InChIKey of 1,2-dibenzyl-3-pentyl-2H-imidazole?
The InChIKey is JTZJOAATJPZJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2/c1-2-3-10-15-23-16-17-24(19-21-13-8-5-9-14-21)22(23)18-20-11-6-4-7-12-20/h4-9,11-14,16-17,22H,2-3,10,15,18-19H2,1H3.
What are the key properties of 1,2-dibenzyl-3-pentyl-2H-imidazole?
1,2-dibenzyl-3-pentyl-2H-imidazole has a molecular weight of 320.48 g/mol, XLogP of 5.03, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibenzyl-3-pentyl-2H-imidazole is sourced from PubChem (CID 69393781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).