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2-PMDQ

CAT: 0013-GTR19201509-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19201509-02Size:50 mg
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Description
2-PMDQ
CAS Number
139047-55-5
Smiles
O=C1N2C (C=3C (N1) =CC=CC3) =NC (CN4CCN (CC4) C5=CC=CC=C5) C2
Molecular Formula
C21H23N5O
Molecular Weight
361.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-[(4-phenyl-1-piperazinyl)methyl]-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-one

2-[(4-phenyl-1-piperazinyl)methyl]-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-one is a member of piperazines.

CAS Number139047-55-5
PubChem CID4367545
IUPAC Name2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
Molecular FormulaC21H23N5O
Molecular Weight361.4
XLogP2.5
Topological Polar Surface Area51.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity723
SMILES
C1CN(CCN1CC2CN3C(=C4C=CC=CC4=NC3=O)N2)C5=CC=CC=C5
InChI
InChI=1S/C21H23N5O/c27-21-23-19-9-5-4-8-18(19)20-22-16(15-26(20)21)14-24-10-12-25(13-11-24)17-6-2-1-3-7-17/h1-9,16,22H,10-15H2
InChIKey
ALPFEYWIGFAARN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[(4-phenyl-1-piperazinyl)methyl]-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-one
CAS: 139047-55-5
CID: 4367545
Formula: C21H23N5O
MW: 361.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight361.4
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass361.19026037
Monoisotopic Mass361.19026037
Topological Polar Surface Area51.2 Ų
Heavy Atom Count27
Formal Charge0
Complexity723
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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