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932232-98-9 | 1-(2-hydroxyethyl)-2-methylpyrimido[1,2-a]benzimidazol-4(1H)-one
CAS No: 932232-98-9 Catalog No: AG00JGBI MDL No:MFCD09438503
Product Description
Catalog Number:
AG00JGBI
Chemical Name:
1-(2-hydroxyethyl)-2-methylpyrimido[1,2-a]benzimidazol-4(1H)-one
CAS Number:
932232-98-9
Molecular Formula:
C13H13N3O2
Molecular Weight:
243.2612
MDL Number:
MFCD09438503
IUPAC Name:
1-(2-hydroxyethyl)-2-methylpyrimido[1,2-a]benzimidazol-4-one
InChI:
InChI=1S/C13H13N3O2/c1-9-8-12(18)16-11-5-3-2-4-10(11)14-13(16)15(9)6-7-17/h2-5,8,17H,6-7H2,1H3
InChI Key:
DVOPGHLWXFWPFK-UHFFFAOYSA-N
SMILES:
OCCn1c(C)cc(=O)n2c1nc1c2cccc1
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.101g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.266g/mol
Monoisotopic Mass:
243.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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