N-(4,4-diphenylbutyl)-1-methyl-4,5-dihydroimidazol-2-amine

C20H25N3 — CID 19820477

IUPACN-(4,4-diphenylbutyl)-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25N3/c1-23-16-15-22-20(23)21-14-8-13-19(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-7,9-12,19H,8,13-16H2,1H3,(H,21,22)
InChIKeyLJPXGVBNWUHMHS-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.49
Rot. Bonds6

About N-(4,4-diphenylbutyl)-1-methyl-4,5-dihydroimidazol-2-amine

N-(4,4-diphenylbutyl)-1-methyl-4,5-dihydroimidazol-2-amine (PubChem CID 19820477) has the molecular formula C20H25N3 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-(4,4-diphenylbutyl)-1-methyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound NameN-(4,4-diphenylbutyl)-1-methyl-4,5-dihydroimidazol-2-amine
PubChem CID19820477
Molecular FormulaC20H25N3
Molecular Weight307.44 g/mol
Exact Mass307.20
IUPAC NameN-(4,4-diphenylbutyl)-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25N3/c1-23-16-15-22-20(23)21-14-8-13-19(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-7,9-12,19H,8,13-16H2,1H3,(H,21,22)
InChIKeyLJPXGVBNWUHMHS-UHFFFAOYSA-N
XLogP3.49
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4,4-diphenylbutyl)-1-methyl-4,5-dihydroimidazol-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4,4-diphenylbutyl)-1-methyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of N-(4,4-diphenylbutyl)-1-methyl-4,5-dihydroimidazol-2-amine (CID 19820477) is N-(4,4-diphenylbutyl)-1-methyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for N-(4,4-diphenylbutyl)-1-methyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for N-(4,4-diphenylbutyl)-1-methyl-4,5-dihydroimidazol-2-amine is CN1CCN=C1NCCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(4,4-diphenylbutyl)-1-methyl-4,5-dihydroimidazol-2-amine?
The InChIKey is LJPXGVBNWUHMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3/c1-23-16-15-22-20(23)21-14-8-13-19(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-7,9-12,19H,8,13-16H2,1H3,(H,21,22).
What are the key properties of N-(4,4-diphenylbutyl)-1-methyl-4,5-dihydroimidazol-2-amine?
N-(4,4-diphenylbutyl)-1-methyl-4,5-dihydroimidazol-2-amine has a molecular weight of 307.44 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-diphenylbutyl)-1-methyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 19820477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).