Urea,1'-m-phenylenebis-[3-(m-2-imidazolin-2-ylphenyl)-, dihydrochloride

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Basic information

CAS: 5300-47-0
Standard SMILES: Cl.O=C(Nc1cccc(NC(=O)Nc2cccc(C3=NCCN3)c2)c1)Nc1cccc(C2=NCCN2)c1
InChIKey: SOYVFFADKSQZJN-UHFFFAOYSA-N
Molecular formula: C26H27ClN8O2
Average molar mass: 519 g/mol
Monoisotopic mass: 518.1945498

Names & identifiers

Preferred name: Urea,1'-m-phenylenebis-[3-(m-2-imidazolin-2-ylphenyl)-, dihydrochloride
IUPAC: 1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[3-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]phenyl]urea;hydrochloride

Names & synonyms

5300-47-0DTXSID80712735NSC57144NSC-57144Urea,1'-m-phenylenebis-[3-(m-2-imidazolin-2-ylphenyl)-, dihydrochlorideDS-004714Urea,N''-1,3-phenylenebis-[N'-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-, dihydrochloride3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-[3-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]phenyl]ureaN,N'-1,3-Phenylenebis{N'-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea}--hydrogen chloride (1/1)

Database identifiers

CAS: 5300-47-0
PubChem CID: 54599359
DTXSID: DTXSID80712735

Properties

Computed structural properties

Topological polar surface area: 131 Å²
Hydrogen bond donors: 7
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 37
Formal charge: 0
Complexity: 780

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Compound notes

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