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Home > Imidazoles > 180569-28-2
180569-28-2 | 1H-Benzimidazole-7-carboxamide, N-(1-methyl-4-piperidinyl)-
CAS No: 180569-28-2 Catalog No: AG00224I MDL No:
Product Description
Catalog Number:
AG00224I
Chemical Name:
1H-Benzimidazole-7-carboxamide, N-(1-methyl-4-piperidinyl)-
CAS Number:
180569-28-2
Molecular Formula:
C14H18N4O
Molecular Weight:
258.3189
IUPAC Name:
N-(1-methylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide
InChI:
InChI=1S/C14H18N4O/c1-18-7-5-10(6-8-18)17-14(19)11-3-2-4-12-13(11)16-9-15-12/h2-4,9-10H,5-8H2,1H3,(H,15,16)(H,17,19)
InChI Key:
UOPVVMIAMOXBRI-UHFFFAOYSA-N
SMILES:
CN1CCC(CC1)NC(=O)c1cccc2c1[nH]cn2
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.148g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.325g/mol
Monoisotopic Mass:
258.148g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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 |
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