Basic information
- CAS
75971-14-1- Standard SMILES
CN1CCC(Nc2nc3ccccc3n2Cc2ccccc2)CC1- InChIKey
PEXCQWULUILEAE-UHFFFAOYSA-N- Molecular formula
- C20H24N4
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.20009678
Names & identifiers
- Preferred name
- 1-Benzyl-N-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-amine
- IUPAC
- 1-benzyl-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine
- English name
- 1H-Benzimidazol-2-amine, N-(1-methyl-4-piperidinyl)-1-(phenylmethyl)-
- Molecular formula
- C20H24N4
- Molecular weight
- 320.43
Names & synonyms
75971-14-11-benzyl-N-(1-methylpiperidin-4-yl)-1H-benzo[d]imidazol-2-amineCHEMBL59293SCHEMBL9681405DTXSID505124211-Benzyl-N-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-amine1-Benzyl-N-(1-methylpiperidin-4-yl)-1H-1,3-benzimidazol-2-amineN-(1-benzyl-1H-benzimidazol-2-yl)-N-(1-methyl-4-piperidinyl)amine1-benzyl-N-(1-methyl-4-piperidinyl)-1H-benzimidazol-2-amine1H-Benzimidazol-2-amine, N-(1-methyl-4-piperidinyl)-1-(phenylmethyl)-
Database identifiers
- CAS
75971-14-1- PubChem CID
- 12891700
- DTXSID
DTXSID50512421- ChEMBL
CHEMBL59293
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 387
Physicochemical properties
- Boiling point
- 503.6 · 503.6±60.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- pka
- 8.77 · 8.77±0.10(Predicted)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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