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1314355-35-5 | 2-(2-(3-hydroxypiperidin-1-yl)-1H-benzo[d]imidazol-1-yl)nicotinonitrile
CAS No: 1314355-35-5 Catalog No: AG01F4T5 MDL No:
Product Description
Catalog Number:
AG01F4T5
Chemical Name:
2-(2-(3-hydroxypiperidin-1-yl)-1H-benzo[d]imidazol-1-yl)nicotinonitrile
CAS Number:
1314355-35-5
Molecular Formula:
C18H17N5O
Molecular Weight:
319.3605
IUPAC Name:
2-[2-(3-hydroxypiperidin-1-yl)benzimidazol-1-yl]pyridine-3-carbonitrile
InChI:
InChI=1S/C18H17N5O/c19-11-13-5-3-9-20-17(13)23-16-8-2-1-7-15(16)21-18(23)22-10-4-6-14(24)12-22/h1-3,5,7-9,14,24H,4,6,10,12H2
InChI Key:
AUILLSPYYDYXKP-UHFFFAOYSA-N
SMILES:
N#Cc1cccnc1n1c(nc2c1cccc2)N1CCCC(C1)O
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.143g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.368g/mol
Monoisotopic Mass:
319.143g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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