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Home > Imidazoles > 903185-31-9
903185-31-9 | 3-[2-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-oxoethyl]-1,3-benzoxazol-2(3H)-one
CAS No: 903185-31-9 Catalog No: AG00JGMI MDL No:MFCD08286760
Product Description
Catalog Number:
AG00JGMI
Chemical Name:
3-[2-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-oxoethyl]-1,3-benzoxazol-2(3H)-one
CAS Number:
903185-31-9
Molecular Formula:
C18H15N3O4
Molecular Weight:
337.3294
MDL Number:
MFCD08286760
IUPAC Name:
3-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-oxoethyl]-1,3-benzoxazol-2-one
InChI:
InChI=1S/C18H15N3O4/c1-19-12-8-7-11(9-14(12)20(2)17(19)23)15(22)10-21-13-5-3-4-6-16(13)25-18(21)24/h3-9H,10H2,1-2H3
InChI Key:
JCOUNEAIAILSBR-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c(c1)n(C)c(=O)n2C)Cn1c(=O)oc2c1cccc2
Properties
Complexity:
595
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.106g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.335g/mol
Monoisotopic Mass:
337.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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