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919794-86-8 | 1H-Benzimidazole-5-carbonitrile, 2-(3-iodophenyl)-1-phenyl-
CAS No: 919794-86-8 Catalog No: AG0064L0 MDL No:
Product Description
Catalog Number:
AG0064L0
Chemical Name:
1H-Benzimidazole-5-carbonitrile, 2-(3-iodophenyl)-1-phenyl-
CAS Number:
919794-86-8
Molecular Formula:
C20H12IN3
Molecular Weight:
421.2339
IUPAC Name:
2-(3-iodophenyl)-1-phenylbenzimidazole-5-carbonitrile
InChI:
InChI=1S/C20H12IN3/c21-16-6-4-5-15(12-16)20-23-18-11-14(13-22)9-10-19(18)24(20)17-7-2-1-3-8-17/h1-12H
InChI Key:
MZUGUJDVSNPOKC-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)nc(n2c1ccccc1)c1cccc(c1)I
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.008g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
421.241g/mol
Monoisotopic Mass:
421.008g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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