U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry MIXED
Molecular Formula C41H33N2.Cl
Molecular Weight 589.167
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3-Bis([1,1?-biphenyl]-4-ylphenylmethyl)-1H-imidazolium chloride

SMILES

[Cl-].C1=C[N+](=CN1C(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=CC=C4)C(C5=CC=CC=C5)C6=CC=C(C=C6)C7=CC=CC=C7

InChI

InChIKey=LMONFRGCFWNVQZ-UHFFFAOYSA-M
InChI=1S/C41H33N2.ClH/c1-5-13-32(14-6-1)34-21-25-38(26-22-34)40(36-17-9-3-10-18-36)42-29-30-43(31-42)41(37-19-11-4-12-20-37)39-27-23-35(24-28-39)33-15-7-2-8-16-33;/h1-31,40-41H;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C41H33N2
Molecular Weight 553.7141
Charge 1
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula Cl
Molecular Weight 35.453
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:22:24 GMT 2025
Edited
by admin
on Wed Apr 02 17:22:24 GMT 2025
Record UNII
7PQJ94P5Q2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-Bis([1,1?-biphenyl]-4-ylphenylmethyl)-1H-imidazolium chloride
Systematic Name English
Bifonazole Impurity D
Preferred Name English
1H-Imidazolium, 1,3-bis([1,1?-biphenyl]-4-ylphenylmethyl)-, chloride (1:1)
Systematic Name English
1,3-Bis[?-(4-biphenylyl)benzyl]imidazolium chloride
Systematic Name English
1H-Imidazolium, 1,3-bis([1,1?-biphenyl]-4-ylphenylmethyl)-, chloride
Systematic Name English
Code System Code Type Description
PUBCHEM
86737503
Created by admin on Wed Apr 02 17:22:24 GMT 2025 , Edited by admin on Wed Apr 02 17:22:24 GMT 2025
PRIMARY
FDA UNII
7PQJ94P5Q2
Created by admin on Wed Apr 02 17:22:24 GMT 2025 , Edited by admin on Wed Apr 02 17:22:24 GMT 2025
PRIMARY
CAS
66600-13-3
Created by admin on Wed Apr 02 17:22:24 GMT 2025 , Edited by admin on Wed Apr 02 17:22:24 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE