CID 51977742
PubChem CID
51977742
Structure
Molecular Formula
Status
Non-live
Molecular Weight
308.9 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
2-[2-[(2R)-butan-2-yl]-5-chlorobenzimidazol-1-yl]ethyl-diethylazanium
InChI=1S/C17H26ClN3/c1-5-13(4)17-19-15-12-14(18)8-9-16(15)21(17)11-10-20(6-2)7-3/h8-9,12-13H,5-7,10-11H2,1-4H3/p+1/t13-/m1/s1
TZQFTTGWGDWYEZ-CYBMUJFWSA-O
CC[C@@H](C)C1=NC2=C(N1CC[NH+](CC)CC)C=CC(=C2)Cl
C17H27ClN3+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
308.9 g/mol
Property Name
XLogP3-AA
Property Value
4.3
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Property Name
Rotatable Bond Count
Property Value
7
Property Name
Exact Mass
Property Value
308.1893506 g/mol
Property Name
Monoisotopic Mass
Property Value
308.1893506 g/mol
Property Name
Topological Polar Surface Area
Property Value
22.3 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
308
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
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
Old substance
CONTENTS