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Home > Imidazoles > 301836-41-9

301836-41-9

301836-41-9 | 4-[4-(1,3-Benzodioxol-5-yl)-5-(2-pyridinyl)-1H-imidazol-2-yl]benzamide

CAS No: 301836-41-9 Catalog No: AG0037OO MDL No:MFCD05865244

Product Description

Catalog Number:
AG0037OO
Chemical Name:
4-[4-(1,3-Benzodioxol-5-yl)-5-(2-pyridinyl)-1H-imidazol-2-yl]benzamide
CAS Number:
301836-41-9
Molecular Formula:
C22H16N4O3
Molecular Weight:
384.3874
MDL Number:
MFCD05865244
IUPAC Name:
4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzamide
InChI:
InChI=1S/C22H16N4O3/c23-21(27)13-4-6-14(7-5-13)22-25-19(20(26-22)16-3-1-2-10-24-16)15-8-9-17-18(11-15)29-12-28-17/h1-11H,12H2,(H2,23,27)(H,25,26)
InChI Key:
FHYUGAJXYORMHI-UHFFFAOYSA-N
SMILES:
NC(=O)c1ccc(cc1)c1[nH]c(c(n1)c1ccc2c(c1)OCO2)c1ccccn1
UNII:
E1557V1V0N

Properties

Complexity:
582  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.122g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
384.395g/mol
Monoisotopic Mass:
384.122g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

Literature

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