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53786-10-0 | 2H-Benzimidazol-2-one, 1,3-dihydro-1-methyl-3-(4-piperidinyl)-
CAS No: 53786-10-0 Catalog No: AG00I9LK MDL No:MFCD02179381
Product Description
Catalog Number:
AG00I9LK
Chemical Name:
2H-Benzimidazol-2-one, 1,3-dihydro-1-methyl-3-(4-piperidinyl)-
CAS Number:
53786-10-0
Molecular Formula:
C13H17N3O
Molecular Weight:
231.2936
MDL Number:
MFCD02179381
IUPAC Name:
1-methyl-3-piperidin-4-ylbenzimidazol-2-one
InChI:
InChI=1S/C13H17N3O/c1-15-11-4-2-3-5-12(11)16(13(15)17)10-6-8-14-9-7-10/h2-5,10,14H,6-9H2,1H3
InChI Key:
VEWTUUDVRSEVLC-UHFFFAOYSA-N
SMILES:
Cn1c(=O)n(c2c1cccc2)C1CCNCC1
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.137g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.299g/mol
Monoisotopic Mass:
231.137g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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