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Home > Imidazoles > 1027486-96-9
1027486-96-9 | Benzonitrile, 4-[[4-(1H-benzimidazol-2-yl)-1-piperidinyl]methyl]-
CAS No: 1027486-96-9 Catalog No: AG00089A MDL No:MFCD24369851
Product Description
Catalog Number:
AG00089A
Chemical Name:
Benzonitrile, 4-[[4-(1H-benzimidazol-2-yl)-1-piperidinyl]methyl]-
CAS Number:
1027486-96-9
Molecular Formula:
C20H20N4
Molecular Weight:
316.3996
MDL Number:
MFCD24369851
IUPAC Name:
4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]benzonitrile
InChI:
InChI=1S/C20H20N4/c21-13-15-5-7-16(8-6-15)14-24-11-9-17(10-12-24)20-22-18-3-1-2-4-19(18)23-20/h1-8,17H,9-12,14H2,(H,22,23)
InChI Key:
XIHOPAZAWAEQGE-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)CN1CCC(CC1)c1nc2c([nH]1)cccc2
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.169g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.408g/mol
Monoisotopic Mass:
316.169g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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