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597546-73-1 | 1H-Benzimidazole-2-acetonitrile,alpha-[(7-ethyl-1H-indol-3-yl)methylene]-(9CI)
CAS No: 597546-73-1 Catalog No: AG00EWEN MDL No:
Product Description
Catalog Number:
AG00EWEN
Chemical Name:
1H-Benzimidazole-2-acetonitrile,alpha-[(7-ethyl-1H-indol-3-yl)methylene]-(9CI)
CAS Number:
597546-73-1
IUPAC Name:
2-(1H-benzimidazol-2-yl)-3-(7-ethyl-1H-indol-3-yl)prop-2-enenitrile
InChI:
InChI=1S/C20H16N4/c1-2-13-6-5-7-16-15(12-22-19(13)16)10-14(11-21)20-23-17-8-3-4-9-18(17)24-20/h3-10,12,22H,2H2,1H3,(H,23,24)
InChI Key:
LQKQCLCJVATVEX-UHFFFAOYSA-N
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.137g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
312.376g/mol
Monoisotopic Mass:
312.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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