200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 302799-86-6
302799-86-6 | 2H-Benzimidazol-2-one, 1,3-dihydro-5-[3-[4-(phenylmethyl)-1-piperidinyl]-1-propyn-1-yl]-
CAS No: 302799-86-6 Catalog No: AG002ZG0 MDL No:
Product Description
Catalog Number:
AG002ZG0
Chemical Name:
2H-Benzimidazol-2-one, 1,3-dihydro-5-[3-[4-(phenylmethyl)-1-piperidinyl]-1-propyn-1-yl]-
CAS Number:
302799-86-6
Molecular Formula:
C22H23N3O
Molecular Weight:
345.4375
IUPAC Name:
5-[3-(4-benzylpiperidin-1-yl)prop-1-ynyl]-1,3-dihydrobenzimidazol-2-one
InChI:
InChI=1S/C22H23N3O/c26-22-23-20-9-8-18(16-21(20)24-22)7-4-12-25-13-10-19(11-14-25)15-17-5-2-1-3-6-17/h1-3,5-6,8-9,16,19H,10-15H2,(H2,23,24,26)
InChI Key:
JJEXWPHPFZLTCU-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2c([nH]1)cc(cc2)C#CCN1CCC(CC1)Cc1ccccc1
Properties
Complexity:
548
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.184g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
345.446g/mol
Monoisotopic Mass:
345.184g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Identification of a novel NR2B-selective NMDA receptor antagonist using a virtual screening approach. | Bioorganic & medicinal chemistry letters 20100915 |
| Synthesis, radiosynthesis and in vivo evaluation of 5-[3-(4-benzylpiperidin-1-yl)prop-1-ynyl]-1,3-dihydrobenzoimidazol-2-[(11)C]one, as a potent NR(1A)/2B subtype selective NMDA PET radiotracer. | Bioorganic & medicinal chemistry 20031201 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.