N-[2-(4-fluorophenyl)ethyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
Basic information
- CAS
851622-16-7- Standard SMILES
O=C(Cn1c(CO)nc2ccccc21)NCCc1ccc(F)cc1- InChIKey
IMHGEBXUPGENAH-UHFFFAOYSA-N- Molecular formula
- C18H18FN3O2
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.13830499
Names & identifiers
- Preferred name
- N-[2-(4-fluorophenyl)ethyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
- IUPAC
- N-[2-(4-fluorophenyl)ethyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
Names & synonyms
N-[2-(4-fluorophenyl)ethyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamideMLS001005175CHEMBL1389492DTXSID201326948HMS2742B12AKOS033946956851622-16-7SMR000378033SR-01000063941SR-01000063941-1Z25755319N-[2-(4-Fluorophenyl)ethyl]-2-[2-(hydroxymethyl)-1H-benzimidazol-1-yl]acetamide
Database identifiers
- CAS
851622-16-7- PubChem CID
- 4883087
- DTXSID
DTXSID201326948- ChEMBL
CHEMBL1389492
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 415
Experimental & physicochemical properties
Solubility36.7 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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