1-(1-cyclobutyl-1H-imidazol-4-yl)-3-isoquinolin-5-yl-urea
Basic information
- Standard SMILES
O=C(Nc1cn(C2CCC2)cn1)Nc1cccc2cnccc12- InChIKey
MZHKUBFXHLGVJD-UHFFFAOYSA-N- Molecular formula
- C17H17N5O
- Average molar mass
- 307.35 g/mol
- Monoisotopic mass
- 307.14331018
Names & identifiers
- Preferred name
- 1-(1-cyclobutyl-1H-imidazol-4-yl)-3-isoquinolin-5-yl-urea
- IUPAC
- 1-(1-cyclobutylimidazol-4-yl)-3-isoquinolin-5-ylurea
Names & synonyms
SCHEMBL5998266MZHKUBFXHLGVJD-UHFFFAOYSA-N1-(1-cyclobutyl-1H-imidazol-4-yl)-3-isoquinolin-5-yl-urea
Database identifiers
- PubChem CID
- 9836201
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 427
Related reactions
3 records
Compound notes
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