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24811-78-7 | Pyrimido[1,2-a]benzimidazol-2(1H)-one
CAS No: 24811-78-7 Catalog No: AG002PIK MDL No:MFCD24387438
Product Description
Catalog Number:
AG002PIK
Chemical Name:
Pyrimido[1,2-a]benzimidazol-2(1H)-one
CAS Number:
24811-78-7
Molecular Formula:
C10H7N3O
Molecular Weight:
185.1821
MDL Number:
MFCD24387438
IUPAC Name:
1H-pyrimido[1,2-a]benzimidazol-2-one
InChI:
InChI=1S/C10H7N3O/c14-9-5-6-13-8-4-2-1-3-7(8)11-10(13)12-9/h1-6H,(H,11,12,14)
InChI Key:
IZRYCLMZDYFCMJ-UHFFFAOYSA-N
SMILES:
O=c1ccn2c([nH]1)nc1c2cccc1
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.186g/mol
Monoisotopic Mass:
185.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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