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Home > Imidazoles > 903440-36-8
903440-36-8 | 2-(3,4-dimethoxyphenyl)pyrimido[1,2-a]benzimidazol-4(1H)-one
CAS No: 903440-36-8 Catalog No: AG018WUH MDL No:
Product Description
Catalog Number:
AG018WUH
Chemical Name:
2-(3,4-dimethoxyphenyl)pyrimido[1,2-a]benzimidazol-4(1H)-one
CAS Number:
903440-36-8
Molecular Formula:
C18H15N3O3
Molecular Weight:
321.3300
IUPAC Name:
2-(3,4-dimethoxyphenyl)-1H-pyrimido[1,2-a]benzimidazol-4-one
InChI:
InChI=1S/C18H15N3O3/c1-23-15-8-7-11(9-16(15)24-2)13-10-17(22)21-14-6-4-3-5-12(14)19-18(21)20-13/h3-10H,1-2H3,(H,19,20)
InChI Key:
MLIPCSKLNQGSJP-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)c1cc(=O)n2c([nH]1)nc1c2cccc1
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.111g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.336g/mol
Monoisotopic Mass:
321.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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