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Home > Imidazoles > 93286-74-9
93286-74-9 | 2H-Pyran-2-one, 3-(1H-benzimidazol-2-yl)-5,6-dihydro-4,5-dimethyl-
CAS No: 93286-74-9 Catalog No: AG006H7M MDL No:
Product Description
Catalog Number:
AG006H7M
Chemical Name:
2H-Pyran-2-one, 3-(1H-benzimidazol-2-yl)-5,6-dihydro-4,5-dimethyl-
CAS Number:
93286-74-9
Molecular Formula:
C14H14N2O2
Molecular Weight:
242.2732
IUPAC Name:
5-(1H-benzimidazol-2-yl)-3,4-dimethyl-2,3-dihydropyran-6-one
InChI:
InChI=1S/C14H14N2O2/c1-8-7-18-14(17)12(9(8)2)13-15-10-5-3-4-6-11(10)16-13/h3-6,8H,7H2,1-2H3,(H,15,16)
InChI Key:
KNDMYXFQTDNQMB-UHFFFAOYSA-N
SMILES:
CC1COC(=O)C(=C1C)c1nc2c([nH]1)cccc2
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.278g/mol
Monoisotopic Mass:
242.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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