2-[({4-fluoro-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl}oxy)methyl]-6-methyl-1H-1,3-benzodiazole
AlkaPlorer ID: AK096570
Synonym: None
IUPAC Name: 2-[[(3S,4R)-4-fluoro-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]oxymethyl]-6-methyl-1H-benzimidazole
Structure
SMILES: COC1=CC=C(CN2C[C@@H](F)[C@@H](OCC3=NC4=CC=C(C)C=C4N3)C2)C=C1
InChI: InChI=1S/C21H24FN3O2/c1-14-3-8-18-19(9-14)24-21(23-18)13-27-20-12-25(11-17(20)22)10-15-4-6-16(26-2)7-5-15/h3-9,17,20H,10-13H2,1-2H3,(H,23,24)/t17-,20+/m1/s1
InChIKey: VTGCOMMDBJQWJS-XLIONFOSSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 369.4400000000001
TPSA？: 50.38
MolLogP？: 3.6190200000000026
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|