1-(1-{2-Chloro-4-[(1H-imidazol-2-ylmethyl)amino]phenyl}piperidin-4-yl)-1,4-dihydro-2H-3,1-benzoxazin-2-one

HCID 22644604
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Basic information

Standard SMILES
O=C1OCc2ccccc2N1C1CCN(c2ccc(NCc3ncc[nH]3)cc2Cl)CC1
InChIKey
DBISJOIDGAOFOS-UHFFFAOYSA-N
Molecular formula
C23H24ClN5O2
Average molar mass
437.9 g/mol

Names & identifiers

Preferred name
1-(1-{2-Chloro-4-[(1H-imidazol-2-ylmethyl)amino]phenyl}piperidin-4-yl)-1,4-dihydro-2H-3,1-benzoxazin-2-one
IUPAC
1-[1-[2-chloro-4-(1H-imidazol-2-ylmethylamino)phenyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one

Names & synonyms

SCHEMBL6864647DBISJOIDGAOFOS-UHFFFAOYSA-N1-(1-{2-Chloro-4-[(1H-imidazol-2-ylmethyl)amino]phenyl}piperidin-4-yl)-1,4-dihydro-2H-3,1-benzoxazin-2-one

Database identifiers

PubChem CID
22644604

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
73.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
31

Related reactions

2 records
New reaction record

Compound notes

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