CID 22556997
PubChem CID
22556997
Structure
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
362.8 g/mol
Dates
- Create:2007-12-05
Chemical Structure Depiction
(2E)-2-(3-chloro-6-oxo-5-phenylcyclohexa-2,4-dien-1-ylidene)-1,3-dihydrobenzimidazole-5-carboximidamide
InChI=1S/C20H15ClN4O/c21-13-9-14(11-4-2-1-3-5-11)18(26)15(10-13)20-24-16-7-6-12(19(22)23)8-17(16)25-20/h1-10,24-25H,(H3,22,23)/b20-15+
PXVIVVOFIWAXCY-HMMYKYKNSA-N
C1=CC=C(C=C1)C2=CC(=C/C(=C\3/NC4=C(N3)C=C(C=C4)C(=N)N)/C2=O)Cl
C20H15ClN4O
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
362.8 g/mol
Property Name
XLogP3-AA
Property Value
3.6
Property Name
Hydrogen Bond Donor Count
Property Value
4
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
362.0934388 g/mol
Property Name
Monoisotopic Mass
Property Value
362.0934388 g/mol
Property Name
Topological Polar Surface Area
Property Value
91 A^2
Property Name
Heavy Atom Count
Property Value
26
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
717
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
1
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
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CONTENTS