Methyl 5-(1-cyano-1-methylethyl)-3-(5-methylimidazol-1-ylmethyl)benzoate

HCID 19349403
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Basic information

Standard SMILES
COC(=O)c1cc(Cn2cncc2C)cc(C(C)(C)C#N)c1
InChIKey
ROZOIKOBPAFXCJ-UHFFFAOYSA-N
Molecular formula
C17H19N3O2
Average molar mass
297.35 g/mol
Monoisotopic mass
297.14772686

Names & identifiers

Preferred name
Methyl 5-(1-cyano-1-methylethyl)-3-(5-methylimidazol-1-ylmethyl)benzoate
IUPAC
methyl 3-(2-cyanopropan-2-yl)-5-[(5-methylimidazol-1-yl)methyl]benzoate

Names & synonyms

SCHEMBL8067856ROZOIKOBPAFXCJ-UHFFFAOYSA-Nmethyl 5-(1-cyano-1-methylethyl)-3-(5-methylimidazol-1-ylmethyl)benzoate

Database identifiers

PubChem CID
19349403

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
67.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
22

Related reactions

2 records
New reaction record

Compound notes

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