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76696-79-2 | 3H-Pyrrolo[1,2-a]imidazol-3-one,2,5,6,7-tetrahydro-2,6-diphenyl-
CAS No: 76696-79-2 Catalog No: AG005IJG MDL No:
Product Description
Catalog Number:
AG005IJG
Chemical Name:
3H-Pyrrolo[1,2-a]imidazol-3-one,2,5,6,7-tetrahydro-2,6-diphenyl-
CAS Number:
76696-79-2
Molecular Formula:
C18H16N2O
Molecular Weight:
276.3324
IUPAC Name:
2,6-diphenyl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one
InChI:
InChI=1S/C18H16N2O/c21-18-17(14-9-5-2-6-10-14)19-16-11-15(12-20(16)18)13-7-3-1-4-8-13/h1-10,15,17H,11-12H2
InChI Key:
YQNBIXHEMKKJLK-UHFFFAOYSA-N
SMILES:
O=C1C(N=C2N1CC(C2)c1ccccc1)c1ccccc1
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.339g/mol
Monoisotopic Mass:
276.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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