1-(2-Deoxyribofuranosyl)-4-(3-benzamido)phenylimidazole
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Basic information
- CAS
143632-16-0- Standard SMILES
O=C(Nc1cccc(-c2cn([C@H]3C[C@H](O)[C@@H](CO)O3)cn2)c1)c1ccccc1- InChIKey
GJCPGHPALURVMQ-XUVXKRRUSA-N- Molecular formula
- C21H21N3O4
- Average molar mass
- 379.4 g/mol
- Monoisotopic mass
- 379.15320616
Overview
structure given in first source
Names & identifiers
- Preferred name
- 1-(2-Deoxyribofuranosyl)-4-(3-benzamido)phenylimidazole
- IUPAC
- N-[3-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazol-4-yl]phenyl]benzamide
- English name
- 1-(2-deoxyribofuranosyl)-4-(3-benzamido)phenylimidazole
- Molecular formula
- C21H21N3O4
- Molecular weight
- 379.41
Names & synonyms
Drfbpi143632-16-01-(2-Deoxyribofuranosyl)-4-(3-benzamido)phenylimidazole1-(2-Deoxy-beta-D-ribofuranosyl)-4-(3-benzamido)phenylimidazoleRefChem:74138SCHEMBL6691963DTXSID30931974N-(3-(1-(2-Deoxy-beta-D-erythro-pentofuranosyl)-1H-imidazol-4-yl)phenyl)benzamide1-(2-Deoxypentofuranosyl)-4-(3-{[hydroxy(phenyl)methylidene]amino}phenyl)-1H-imidazoleBenzamide, N-(3-(1-(2-deoxy-beta-D-erythro-pentofuranosyl)-1H-imidazol-4-yl)phenyl)-1-(2-Deoxy-beta-D-erythro-pentofuranosyl)-4-(3-{[hydroxy(phenyl)methylidene]amino}phenyl)-1H-imidazole1-(2-deoxy-β-D-ribofuranosyl)-4-(3-benzamidophenyl)imidazole
Show more names
Benzamide, N-[3-[1-(2-deoxy-β-D-erythro-pentofuranosyl)-1H-imidazol-4-yl]phenyl]-
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 96.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 528
Physicochemical properties
- Boiling point
- 624.3 · 624.3±55.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 13.18 · 13.18±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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