N-(3-imidazol-1-ylpropyl)-2,2-diphenylpropanamide;hydrochloride

C21H24ClN3O — CID 2947950

IUPACN-(3-imidazol-1-ylpropyl)-2,2-diphenylpropanamide;hydrochloride
SMILESCC(C(=O)NCCCn1ccnc1)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C21H23N3O.ClH/c1-21(18-9-4-2-5-10-18,19-11-6-3-7-12-19)20(25)23-13-8-15-24-16-14-22-17-24;/h2-7,9-12,14,16-17H,8,13,15H2,1H3,(H,23,25);1H
InChIKeyFUMPEKUXQZXOEB-UHFFFAOYSA-N
MW369.90 g/mol
LogP3.82
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-2,2-diphenylpropanamide;hydrochloride

N-(3-imidazol-1-ylpropyl)-2,2-diphenylpropanamide;hydrochloride (PubChem CID 2947950) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2,2-diphenylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2,2-diphenylpropanamide;hydrochloride
PubChem CID2947950
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC NameN-(3-imidazol-1-ylpropyl)-2,2-diphenylpropanamide;hydrochloride
SMILESCC(C(=O)NCCCn1ccnc1)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C21H23N3O.ClH/c1-21(18-9-4-2-5-10-18,19-11-6-3-7-12-19)20(25)23-13-8-15-24-16-14-22-17-24;/h2-7,9-12,14,16-17H,8,13,15H2,1H3,(H,23,25);1H
InChIKeyFUMPEKUXQZXOEB-UHFFFAOYSA-N
XLogP3.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-imidazol-1-ylpropyl)-2,2-diphenylpropanamide;hydrochloride 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-(3-imidazol-1-ylpropyl)-2,2-diphenylpropanamide;hydrochloride?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2,2-diphenylpropanamide;hydrochloride (CID 2947950) is N-(3-imidazol-1-ylpropyl)-2,2-diphenylpropanamide;hydrochloride.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2,2-diphenylpropanamide;hydrochloride?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2,2-diphenylpropanamide;hydrochloride is CC(C(=O)NCCCn1ccnc1)(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2,2-diphenylpropanamide;hydrochloride?
The InChIKey is FUMPEKUXQZXOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O.ClH/c1-21(18-9-4-2-5-10-18,19-11-6-3-7-12-19)20(25)23-13-8-15-24-16-14-22-17-24;/h2-7,9-12,14,16-17H,8,13,15H2,1H3,(H,23,25);1H.
What are the key properties of N-(3-imidazol-1-ylpropyl)-2,2-diphenylpropanamide;hydrochloride?
N-(3-imidazol-1-ylpropyl)-2,2-diphenylpropanamide;hydrochloride has a molecular weight of 369.90 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2,2-diphenylpropanamide;hydrochloride is sourced from PubChem (CID 2947950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).