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Home > Imidazoles > 16148-06-4
16148-06-4 | 2H-Benzimidazol-2-one, 1,3-dihydro-1-[1-(phenylmethyl)-4-piperidinyl]-
CAS No: 16148-06-4 Catalog No: AG001SI8 MDL No:
Product Description
Catalog Number:
AG001SI8
Chemical Name:
2H-Benzimidazol-2-one, 1,3-dihydro-1-[1-(phenylmethyl)-4-piperidinyl]-
CAS Number:
16148-06-4
Molecular Formula:
C19H21N3O
Molecular Weight:
307.3895
IUPAC Name:
3-(1-benzylpiperidin-4-yl)-1H-benzimidazol-2-one
InChI:
InChI=1S/C19H21N3O/c23-19-20-17-8-4-5-9-18(17)22(19)16-10-12-21(13-11-16)14-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,20,23)
InChI Key:
WMPRRSYNQDCNCE-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2c(n1C1CCN(CC1)Cc1ccccc1)cccc2
EC Number:
240-301-6
NSC Number:
78484
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.168g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.397g/mol
Monoisotopic Mass:
307.168g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| The design and synthesis of a novel quinolizidine template for potent opioid and opioid receptor-like (ORL1, NOP) receptor ligands. | Bioorganic & medicinal chemistry letters 20040105 |
| Discovery of the first potent and selective small molecule opioid receptor-like (ORL1) antagonist: 1-[(3R,4R)-1-cyclooctylmethyl-3- hydroxymethyl-4-piperidyl]-3-ethyl-1, 3-dihydro-2H-benzimidazol-2-one (J-113397). | Journal of medicinal chemistry 19991216 |
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