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20662-53-7 | 4-(2-Keto-1-benzimidazolinyl)piperidine
CAS No: 20662-53-7 Catalog No: AG0037V9 MDL No:MFCD00005714
Product Description
Catalog Number:
AG0037V9
Chemical Name:
4-(2-Keto-1-benzimidazolinyl)piperidine
CAS Number:
20662-53-7
Molecular Formula:
C12H15N3O
Molecular Weight:
217.2670
MDL Number:
MFCD00005714
IUPAC Name:
3-piperidin-4-yl-1H-benzimidazol-2-one
InChI:
InChI=1S/C12H15N3O/c16-12-14-10-3-1-2-4-11(10)15(12)9-5-7-13-8-6-9/h1-4,9,13H,5-8H2,(H,14,16)
InChI Key:
BYNBAMHAURJNTR-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2c(n1C1CCNCC1)cccc2
EC Number:
243-950-3
UNII:
4RP0AED2PC
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.122g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.272g/mol
Monoisotopic Mass:
217.122g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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