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65925-16-8 | 3-[(5,6-dimethyl-1H-benzoimidazol-2-yl)methyl]-2-phenyl-quinazolin-4-one
CAS No: 65925-16-8 Catalog No: AG006MHM MDL No:
Product Description
Catalog Number:
AG006MHM
Chemical Name:
3-[(5,6-dimethyl-1H-benzoimidazol-2-yl)methyl]-2-phenyl-quinazolin-4-one
CAS Number:
65925-16-8
Molecular Formula:
C24H20N4O
Molecular Weight:
380.4418
IUPAC Name:
3-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-phenylquinazolin-4-one
InChI:
InChI=1S/C24H20N4O/c1-15-12-20-21(13-16(15)2)26-22(25-20)14-28-23(17-8-4-3-5-9-17)27-19-11-7-6-10-18(19)24(28)29/h3-13H,14H2,1-2H3,(H,25,26)
InChI Key:
MWZOCBFOVYJHJM-UHFFFAOYSA-N
SMILES:
Cc1cc2[nH]c(nc2cc1C)Cn1c(nc2c(c1=O)cccc2)c1ccccc1
Properties
Complexity:
643
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.164g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
380.451g/mol
Monoisotopic Mass:
380.164g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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