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Home > Imidazoles > 78531-01-8
78531-01-8 | Benzimidazo[1,2-a]quinoline, 1,2,3,4,5,6-hexahydro-5-phenyl-
CAS No: 78531-01-8 Catalog No: AG00537C MDL No:
Product Description
Catalog Number:
AG00537C
Chemical Name:
Benzimidazo[1,2-a]quinoline, 1,2,3,4,5,6-hexahydro-5-phenyl-
CAS Number:
78531-01-8
Molecular Formula:
C21H20N2
Molecular Weight:
300.3969
IUPAC Name:
5-phenyl-1,2,3,4,5,6-hexahydrobenzimidazolo[1,2-a]quinoline
InChI:
InChI=1S/C21H20N2/c1-2-8-15(9-3-1)17-14-21-22-18-11-5-7-13-20(18)23(21)19-12-6-4-10-16(17)19/h1-3,5,7-9,11,13,17H,4,6,10,12,14H2
InChI Key:
RRBBIFZVMAZJGF-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1Cc2nc3c(n2C2=C1CCCC2)cccc3
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.163g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.405g/mol
Monoisotopic Mass:
300.163g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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