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1146080-74-1 | 3-Pyridinecarbonitrile, 2-[2-[3-(hydroxymethyl)-1-piperidinyl]-1H-benzimidazol-1-yl]-
CAS No: 1146080-74-1 Catalog No: AG000ESV MDL No:MFCD11915957
Product Description
Catalog Number:
AG000ESV
Chemical Name:
3-Pyridinecarbonitrile, 2-[2-[3-(hydroxymethyl)-1-piperidinyl]-1H-benzimidazol-1-yl]-
CAS Number:
1146080-74-1
Molecular Formula:
C19H19N5O
Molecular Weight:
333.3871
MDL Number:
MFCD11915957
IUPAC Name:
2-[2-[3-(hydroxymethyl)piperidin-1-yl]benzimidazol-1-yl]pyridine-3-carbonitrile
InChI:
InChI=1S/C19H19N5O/c20-11-15-6-3-9-21-18(15)24-17-8-2-1-7-16(17)22-19(24)23-10-4-5-14(12-23)13-25/h1-3,6-9,14,25H,4-5,10,12-13H2
InChI Key:
YWPNLDWNJSXZJM-UHFFFAOYSA-N
SMILES:
OCC1CCCN(C1)c1nc2c(n1c1ncccc1C#N)cccc2
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.159g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.395g/mol
Monoisotopic Mass:
333.159g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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