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146673-99-6

146673-99-6 | 1H-Imidazole, 1-[phenyl(1-phenyl-1H-pyrrol-3-yl)methyl]-

CAS No: 146673-99-6 Catalog No: AG001E7I MDL No:

Product Description

Catalog Number:
AG001E7I
Chemical Name:
1H-Imidazole, 1-[phenyl(1-phenyl-1H-pyrrol-3-yl)methyl]-
CAS Number:
146673-99-6
Molecular Formula:
C20H17N3
Molecular Weight:
299.3691
IUPAC Name:
1-[phenyl-(1-phenylpyrrol-3-yl)methyl]imidazole
InChI:
InChI=1S/C20H17N3/c1-3-7-17(8-4-1)20(23-14-12-21-16-23)18-11-13-22(15-18)19-9-5-2-6-10-19/h1-16,20H
InChI Key:
YXTSXRAOMZGEAR-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)n1ccc(c1)C(n1ccnc1)c1ccccc1

Properties

Complexity:
360  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.142g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.377g/mol
Monoisotopic Mass:
299.142g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
22.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  

Literature

Title Journal
Antifungal agents. 11. N-substituted derivatives of 1-[(aryl)(4-aryl-1H-pyrrol-3-yl)methyl]-1H-imidazole: synthesis, anti-Candida activity, and QSAR studies. Journal of medicinal chemistry 20050811

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