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Mebendazole EP Impurity G

CAT: 1596-AR-M00996-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-M00996-01Size:10 Units
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CAS Number
129165-82-8
Synonyms
N, N'-Bis (6-benzoyl-1H-benimidazol-2-yl) -urea
Molecular Formula
C29H20N6O3
Molecular Weight
500.52
API Name
Mebendazole

Chemical Information

N,N'-Bis(5-benzoyl-1H,-benzimidazol-2-yl)urea
CAS Number129165-82-8
PubChem CID14908064
IUPAC Name1,3-bis(6-benzoyl-1H-benzimidazol-2-yl)urea
Molecular FormulaC29H20N6O3
Molecular Weight500.5
XLogP5.1
Topological Polar Surface Area133
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count38
Formal Charge0
Complexity804
SMILES
C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(N3)NC(=O)NC4=NC5=C(N4)C=C(C=C5)C(=O)C6=CC=CC=C6
InChI
InChI=1S/C29H20N6O3/c36-25(17-7-3-1-4-8-17)19-11-13-21-23(15-19)32-27(30-21)34-29(38)35-28-31-22-14-12-20(16-24(22)33-28)26(37)18-9-5-2-6-10-18/h1-16H,(H4,30,31,32,33,34,35,38)
InChIKey
NCJRIAUJDRRABM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N,N'-Bis(5-benzoyl-1H,-benzimidazol-2-yl)urea
CAS: 129165-82-8
CID: 14908064
Formula: C29H20N6O3
MW: 500.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight500.5
XLogP35.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass500.15968852
Monoisotopic Mass500.15968852
Topological Polar Surface Area133 Ų
Heavy Atom Count38
Formal Charge0
Complexity804
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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