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76696-77-0 | 3H-Pyrrolo[1,2-a]imidazol-3-one,2,5,6,7-tetrahydro-2-(1-methylethyl)-6-phenyl-
CAS No: 76696-77-0 Catalog No: AG008PGW MDL No:
Product Description
Catalog Number:
AG008PGW
Chemical Name:
3H-Pyrrolo[1,2-a]imidazol-3-one,2,5,6,7-tetrahydro-2-(1-methylethyl)-6-phenyl-
CAS Number:
76696-77-0
Molecular Formula:
C15H18N2O
Molecular Weight:
242.3162
IUPAC Name:
6-phenyl-2-propan-2-yl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one
InChI:
InChI=1S/C15H18N2O/c1-10(2)14-15(18)17-9-12(8-13(17)16-14)11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3
InChI Key:
QPTIGEGEOUALSJ-UHFFFAOYSA-N
SMILES:
CC(C1N=C2N(C1=O)CC(C2)c1ccccc1)C
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.142g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.322g/mol
Monoisotopic Mass:
242.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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