200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 76696-81-6
76696-81-6 | 3H-Pyrrolo[1,2-a]imidazol-3-one,2,5,6,7-tetrahydro-6-phenyl-2-(phenylmethyl)-
CAS No: 76696-81-6 Catalog No: AG005IJF MDL No:
Product Description
Catalog Number:
AG005IJF
Chemical Name:
3H-Pyrrolo[1,2-a]imidazol-3-one,2,5,6,7-tetrahydro-6-phenyl-2-(phenylmethyl)-
CAS Number:
76696-81-6
Molecular Formula:
C19H18N2O
Molecular Weight:
290.3590
IUPAC Name:
2-benzyl-6-phenyl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one
InChI:
InChI=1S/C19H18N2O/c22-19-17(11-14-7-3-1-4-8-14)20-18-12-16(13-21(18)19)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2
InChI Key:
BIYLWFKMRBNJOH-UHFFFAOYSA-N
SMILES:
O=C1C(Cc2ccccc2)N=C2N1CC(C2)c1ccccc1
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.142g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.366g/mol
Monoisotopic Mass:
290.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.