1-[2-Imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]-3-phenoxypropan-2-ol
Basic information
- CAS
312617-83-7- Standard SMILES
Cc1ccc(Cn2c(=N)n(CC(O)COc3ccccc3)c3ccccc32)cc1- InChIKey
QFXRDIRBBPLBCV-UHFFFAOYSA-N- Molecular formula
- C24H25N3O2
- Average molar mass
- 387.5 g/mol
- Monoisotopic mass
- 387.19467705
Names & identifiers
- Preferred name
- 1-[2-Imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]-3-phenoxypropan-2-ol
- IUPAC
- 1-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]-3-phenoxypropan-2-ol
- English name
- 1-[2-imino-3-(4-methylbenzyl)-2,3-dihydro-1H-benzimidazol-1-yl]-3-phenoxy-2-propanol
- Molecular formula
- C24H25N3O2
- Molecular weight
- 387.4742
Names & synonyms
312617-83-71-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]-3-phenoxypropan-2-ol1-(2-imino-3-(4-methylbenzyl)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-3-phenoxypropan-2-ol1-[2-Imino-3-(4-methyl-benzyl)-2,3-dihydro-benzoimidazol-1-yl]-3-phenoxy-propan-2-olOprea1_314137Oprea1_413981SCHEMBL2497664CHEMBL1620208STK017775AKOS000673421AKOS021985894EBC-615143
Show more names
DB-345606ST50243776AE-848/369592481-[2-imino-3-(4-methylbenzyl)-2,3-dihydro-1H-benzimidazol-1-yl]-3-phenoxy-2-propanol1-[2-imino-3-(4-methylbenzyl)-2,3-dihydro-1H-benzimidazol-1-yl]-3-phenoxypropan-2-ol1-{2-imino-3-[(4-methylphenyl)methyl](3-hydrobenzimidazolyl)}-3-phenoxypropan- 2-ol1-{2-IMINO-3-[(4-METHYLPHENYL)METHYL]-2,3-DIHYDRO-1H-1,3-BENZODIAZOL-1-YL}-3-PHENOXYPROPAN-2-OL
Database identifiers
- CAS
312617-83-7- PubChem CID
- 3123572
- ChEMBL
CHEMBL1620208
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 59.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 528
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