Prifinium Bromide

C22H28BrN — CID 20749

IUPAC3-benzhydrylidene-1,1-diethyl-2-methylpyrrolidin-1-ium bromide
SMILESCC[N+]1(CCC(=C(C2=CC=CC=C2)C3=CC=CC=C3)C1C)CC.[Br-]
InChIInChI=1S/C22H28N.BrH/c1-4-23(5-2)17-16-21(18(23)3)22(19-12-8-6-9-13-19)20-14-10-7-11-15-20;/h6-15,18H,4-5,16-17H2,1-3H3;1H/q+1;/p-1
InChIKeyUCGJZJXOPSNTGZ-UHFFFAOYSA-M
MW386.40 g/mol
LogP—
Rot. Bonds4

About Prifinium Bromide

Prifinium Bromide (PubChem CID 20749) has the molecular formula C22H28BrN and a molecular weight of 386.40 g/mol. Its IUPAC name is 3-benzhydrylidene-1,1-diethyl-2-methylpyrrolidin-1-ium bromide.

Molecular Properties

Compound NamePrifinium Bromide
PubChem CID20749
Molecular FormulaC22H28BrN
Molecular Weight386.40 g/mol
Exact Mass385.14
IUPAC Name3-benzhydrylidene-1,1-diethyl-2-methylpyrrolidin-1-ium bromide
SMILESCC[N+]1(CCC(=C(C2=CC=CC=C2)C3=CC=CC=C3)C1C)CC.[Br-]
InChIInChI=1S/C22H28N.BrH/c1-4-23(5-2)17-16-21(18(23)3)22(19-12-8-6-9-13-19)20-14-10-7-11-15-20;/h6-15,18H,4-5,16-17H2,1-3H3;1H/q+1;/p-1
InChIKeyUCGJZJXOPSNTGZ-UHFFFAOYSA-M
XLogP—
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity386

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze Prifinium Bromide 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-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine
CID 1388
Phenindamine
CID 11291
Benzphetamine
CID 5311017
Setiptiline
CID 5205
Alverine
CID 3678
Rolicyclidine
CID 62436
Prolintane
CID 14592
Benzfetamine
CID 2341
Benzphetamine Hydrochloride
CID 11558159
Dimethylamphetamine
CID 20006
Dimethamphetamine
CID 65682
Diphemanil
CID 6127

Frequently Asked Questions

What is the IUPAC name of Prifinium Bromide?
The IUPAC name of Prifinium Bromide (CID 20749) is 3-benzhydrylidene-1,1-diethyl-2-methylpyrrolidin-1-ium bromide.
What is the SMILES notation for Prifinium Bromide?
The canonical SMILES for Prifinium Bromide is CC[N+]1(CCC(=C(C2=CC=CC=C2)C3=CC=CC=C3)C1C)CC.[Br-].
What is the InChIKey of Prifinium Bromide?
The InChIKey is UCGJZJXOPSNTGZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H28N.BrH/c1-4-23(5-2)17-16-21(18(23)3)22(19-12-8-6-9-13-19)20-14-10-7-11-15-20;/h6-15,18H,4-5,16-17H2,1-3H3;1H/q+1;/p-1.
What are the key properties of Prifinium Bromide?
Prifinium Bromide has a molecular weight of 386.40 g/mol, XLogP of not available, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Prifinium Bromide is sourced from PubChem (CID 20749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).