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Home > Imidazoles > 887928-86-1
887928-86-1 | 2-PHENYL-1-PROPYL-1H-BENZOIMIDAZOLE-5,6-DICARBONITRILE
CAS No: 887928-86-1 Catalog No: AG01BXBH MDL No:MFCD09032894
Product Description
Catalog Number:
AG01BXBH
Chemical Name:
2-PHENYL-1-PROPYL-1H-BENZOIMIDAZOLE-5,6-DICARBONITRILE
CAS Number:
887928-86-1
Molecular Formula:
C18H14N4
Molecular Weight:
286.3306
MDL Number:
MFCD09032894
IUPAC Name:
2-phenyl-1-propylbenzimidazole-5,6-dicarbonitrile
InChI:
InChI=1S/C18H14N4/c1-2-8-22-17-10-15(12-20)14(11-19)9-16(17)21-18(22)13-6-4-3-5-7-13/h3-7,9-10H,2,8H2,1H3
InChI Key:
ZKVRZQHBKBUUSD-UHFFFAOYSA-N
SMILES:
CCCn1c(nc2c1cc(C#N)c(c2)C#N)c1ccccc1
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.122g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.338g/mol
Monoisotopic Mass:
286.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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