[Synonyms]
Bilastine
Bilastine [INN]
p-(2-(4-(1-(2-Ethoxyethyl)-2-benzimidazolyl)piperidino)ethyl)-alpha-methylhydratropic acid
202189-78-4
[Structure]
![Bilastine,Bilastine [INN],p-(2-(4-(1-(2-Ethoxyethyl)-2-benzimidazolyl)](/file/upload/dataimg/19/185460.png)
[ Properties Computed from Structure]
[ Descriptors Computed from Structure]
IUPAC Name: 2-[4-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl]
phenyl]-2-methylpropanoic acid
Canonical SMILES: CCOCCN1C2=CC=CC=C2N=C1C3CCN(CC3)CCC4=CC=C(C=C4)C(C)(C)C(=O)O
InChI: InChI=1/C28H37N3O3/c1-4-34-20-19-31-25-8-6-5-7-24(25)29-26(31)22-14-17-
30(18-15-22)16-13-21-9-11-23(12-10-21)28(2,3)27(32)33/h5-12,22H,4,
13-20H2,1-3H3,(H,32,33)/f/h32H
Bilastine
Bilastine [INN]
p-(2-(4-(1-(2-Ethoxyethyl)-2-benzimidazolyl)piperidino)ethyl)-alpha-methylhydratropic acid
202189-78-4
[Structure]
[ Properties Computed from Structure]
| Molecular Weight | 463.61168 [g/mol] |
| Molecular Formula | C28H37N3O3 |
| XLogP | 4.4 |
| H-Bond Donor | 1 |
| H-Bond Acceptor | 6 |
| Rotatable Bond Count | 10 |
| Exact Mass | 463.283492 |
| MonoIsotopic Mass | 463.283492 |
| Topological Polar Surface Area | 67.6 |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 641 |
| Isotope Atom Count | 0 |
| Defined Atom StereoCenter Count | 0 |
| Undefined Atom StereoCenter Count | 0 |
| Defined Bond StereoCenter Count | 0 |
| Undefined Bond StereoCenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
[ Descriptors Computed from Structure]
IUPAC Name: 2-[4-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl]
phenyl]-2-methylpropanoic acid
Canonical SMILES: CCOCCN1C2=CC=CC=C2N=C1C3CCN(CC3)CCC4=CC=C(C=C4)C(C)(C)C(=O)O
InChI: InChI=1/C28H37N3O3/c1-4-34-20-19-31-25-8-6-5-7-24(25)29-26(31)22-14-17-
30(18-15-22)16-13-21-9-11-23(12-10-21)28(2,3)27(32)33/h5-12,22H,4,
13-20H2,1-3H3,(H,32,33)/f/h32H
