200,000+ products from a single source!
sales@angenechem.com
180569-31-7 | 1H-Benzimidazole-7-carboxylic acid, 1-methyl-4-piperidinyl ester
CAS No: 180569-31-7 Catalog No: AG00224H MDL No:
Product Description
Catalog Number:
AG00224H
Chemical Name:
1H-Benzimidazole-7-carboxylic acid, 1-methyl-4-piperidinyl ester
CAS Number:
180569-31-7
Molecular Formula:
C14H17N3O2
Molecular Weight:
259.3037
IUPAC Name:
(1-methylpiperidin-4-yl) 1H-benzimidazole-4-carboxylate
InChI:
InChI=1S/C14H17N3O2/c1-17-7-5-10(6-8-17)19-14(18)11-3-2-4-12-13(11)16-9-15-12/h2-4,9-10H,5-8H2,1H3,(H,15,16)
InChI Key:
GVHZBCMYHZGMMR-UHFFFAOYSA-N
SMILES:
CN1CCC(CC1)OC(=O)c1cccc2c1[nH]cn2
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.132g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.309g/mol
Monoisotopic Mass:
259.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Benzimidazole derivatives. 3. 3D-QSAR/CoMFA model and computational simulation for the recognition of 5-HT(4) receptor antagonists. | Journal of medicinal chemistry 20021024 |
| 3-D-QSAR/CoMFA and recognition models of benzimidazole derivatives at the 5-HT(4) receptor. | Bioorganic & medicinal chemistry letters 20011105 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.