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Home > Imidazoles > 77335-96-7
77335-96-7 | 6,6-dimethyl-2-phenyl-1,5,6,7-tetrahydro-4H-benzimidazol-4-one
CAS No: 77335-96-7 Catalog No: AG018WRA MDL No:
Product Description
Catalog Number:
AG018WRA
Chemical Name:
6,6-dimethyl-2-phenyl-1,5,6,7-tetrahydro-4H-benzimidazol-4-one
CAS Number:
77335-96-7
Molecular Formula:
C15H16N2O
Molecular Weight:
240.3003
IUPAC Name:
6,6-dimethyl-2-phenyl-5,7-dihydro-1H-benzimidazol-4-one
InChI:
InChI=1S/C15H16N2O/c1-15(2)8-11-13(12(18)9-15)17-14(16-11)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,16,17)
InChI Key:
WCOSXRWCGAWZNR-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)Cc2c1nc([nH]2)c1ccccc1
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.306g/mol
Monoisotopic Mass:
240.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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