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Imidocarb Dipropionate

CAT: 0572-TRC-I387628-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-I387628-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
55750-06-6
Synonyms
Imidocarb Dipropionate; Propanoic acid compd. with N,N'-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea (2:1); Carbesia; Imidocarb dipropionate; Imizol; Imizol (antiprotozoal); N,N'-Bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea dipropanoate
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
CCC(=O)O.CCC(=O)O.O=C(Nc1cccc(c1)C2=NCCN2)Nc3cccc(c3)C4=NCCN4
Molecular Formula
C19 H20 N6 O . 2 C3 H6 O2
Molecular Weight
496.56
InChI
InChI=1S/C19H20N6O.2C3H6O2/c26-19(24-15-5-1-3-13(11-15)17-20-7-8-21-17)25-16-6-2-4-14(12-16)18-22-9-10-23-18;2*1-2-3(4)5/h1-6,11-12H,7-10H2,(H,20,21)(H,22,23)(H2,24,25,26);2*2H2,1H3,(H,4,5)
Additionnal Information
IUPAC name: 1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;propanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Imidocarb Dipropionate

See also: Imidocarb (has active moiety).

CAS Number55750-06-6
PubChem CID9983292
IUPAC Name1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;propanoic acid
Molecular FormulaC25H32N6O5
Molecular Weight496.6
Topological Polar Surface Area165
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity567
SMILES
CCC(=O)O.CCC(=O)O.C1CN=C(N1)C2=CC(=CC=C2)NC(=O)NC3=CC=CC(=C3)C4=NCCN4
InChI
InChI=1S/C19H20N6O.2C3H6O2/c26-19(24-15-5-1-3-13(11-15)17-20-7-8-21-17)25-16-6-2-4-14(12-16)18-22-9-10-23-18;2*1-2-3(4)5/h1-6,11-12H,7-10H2,(H,20,21)(H,22,23)(H2,24,25,26);2*2H2,1H3,(H,4,5)
InChIKey
AFGQXWSHYUHHNV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Imidocarb Dipropionate
CAS: 55750-06-6
CID: 9983292
Formula: C25H32N6O5
MW: 496.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight496.6
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass496.24341814
Monoisotopic Mass496.24341814
Topological Polar Surface Area165 Ų
Heavy Atom Count36
Formal Charge0
Complexity567
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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