Basic information
- CAS
36325-02-7- Standard SMILES
C=CCn1c(C(O)c2ccccc2)nc2ccccc21- InChIKey
YPHATWPQCSCPCW-UHFFFAOYSA-N- Molecular formula
- C17H16N2O
- Average molar mass
- 264.32 g/mol
Names & identifiers
- Preferred name
- (1-Allyl-1H-benzoimidazol-2-yl)-phenyl-methanol
- IUPAC
- phenyl-(1-prop-2-enylbenzimidazol-2-yl)methanol
- English name
- (1-allyl-1H-benzo[d]imidazol-2-yl)(phenyl)methanol
- Molecular formula
- C17H16N2O
- Molecular weight
- 264.32174
Names & synonyms
(1-Allyl-1H-benzoimidazol-2-yl)-phenyl-methanol5660-43-5DTXSID60386317RefChem:204417DTXCID1033733936325-02-7phenyl[1-(prop-2-en-1-yl)-1H-1,3-benzodiazol-2-yl]methanol(1-allyl-1H-benzo[d]imidazol-2-yl)(phenyl)methanolphenyl-(1-prop-2-enylbenzimidazol-2-yl)methanolCBMicro_027190ChemDiv2_001457(1-allyl-1H-benzimidazol-2-yl)(phenyl)methanol
Show more names
phenyl[1-(prop-2-en-1-yl)-1H-benzimidazol-2-yl]methanol1H-Benzimidazole-2-methanol, α-phenyl-1-(2-propen-1-yl)-
Oprea1_225859Oprea1_495509MLS001209319F1216-0102CHEMBL1526986HMS1373C05HMS2848F21STK070355
Database identifiers
- CAS
36325-02-7- ChEMBL
CHEMBL1526986
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 327
Experimental & physicochemical properties
Solubility24.2 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 473.7 · 473.7±45.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- pka
- 13.09 · 13.09±0.20(Predicted)
Chemistry & industry
Suppliers4 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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