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Home > Imidazoles > 91045-41-9
91045-41-9 | 4(3H)-Quinazolinone, 3-[2-(1H-benzimidazol-2-yl)phenyl]-2-methyl-
CAS No: 91045-41-9 Catalog No: AG006FIP MDL No:
Product Description
Catalog Number:
AG006FIP
Chemical Name:
4(3H)-Quinazolinone, 3-[2-(1H-benzimidazol-2-yl)phenyl]-2-methyl-
CAS Number:
91045-41-9
Molecular Formula:
C22H16N4O
Molecular Weight:
352.3886
IUPAC Name:
3-[2-(1H-benzimidazol-2-yl)phenyl]-2-methylquinazolin-4-one
InChI:
InChI=1S/C22H16N4O/c1-14-23-17-10-4-2-8-15(17)22(27)26(14)20-13-7-3-9-16(20)21-24-18-11-5-6-12-19(18)25-21/h2-13H,1H3,(H,24,25)
InChI Key:
OSYDJIQRXURUSA-UHFFFAOYSA-N
SMILES:
Cc1nc2ccccc2c(=O)n1c1ccccc1c1nc2c([nH]1)cccc2
Properties
Complexity:
605
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.132g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
352.397g/mol
Monoisotopic Mass:
352.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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