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Home > Imidazoles > 877798-45-3
877798-45-3 | 2,3-dimethylpyrimido[1,2-a]benzimidazol-4(1H)-one
CAS No: 877798-45-3 Catalog No: AG018WUG MDL No:
Product Description
Catalog Number:
AG018WUG
Chemical Name:
2,3-dimethylpyrimido[1,2-a]benzimidazol-4(1H)-one
CAS Number:
877798-45-3
Molecular Formula:
C12H11N3O
Molecular Weight:
213.2352
IUPAC Name:
2,3-dimethyl-1H-pyrimido[1,2-a]benzimidazol-4-one
InChI:
InChI=1S/C12H11N3O/c1-7-8(2)13-12-14-9-5-3-4-6-10(9)15(12)11(7)16/h3-6H,1-2H3,(H,13,14)
InChI Key:
CSXJTYQXFXQBOX-UHFFFAOYSA-N
SMILES:
Cc1c(C)[nH]c2n(c1=O)c1ccccc1n2
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.24g/mol
Monoisotopic Mass:
213.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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