2-(1-Methyl-5-nitroimidazol-2-yl)-1-(3-morpholinopropyl)benzimidazole

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Basic information

CAS: 32063-49-3
Standard SMILES: Cn1c([N+](=O)[O-])cnc1-c1nc2ccccc2n1CCCN1CCOCC1
InChIKey: KCSALABEXYXQRB-UHFFFAOYSA-N
Molecular formula: C18H22N6O3
Average molar mass: 370.4 g/mol
Monoisotopic mass: 370.17533859

Names & identifiers

Preferred name: 2-(1-Methyl-5-nitroimidazol-2-yl)-1-(3-morpholinopropyl)benzimidazole
IUPAC: 4-[3-[2-(1-methyl-5-nitroimidazol-2-yl)benzimidazol-1-yl]propyl]morpholine

Names & synonyms

32063-49-32-(1-Methyl-5-nitroimidazol-2-yl)-1-(3-morpholinopropyl)benzimidazole2-(1-Methyl-5-nitroimidazol-2-yl)-1-(3-morpholinyl)propyl-benzimidazolBenzimidazole, 2-(1-methyl-5-nitroimidazol-2-yl)-1-(3-morpholinopropyl)-1H-Benzimidazole, 2-(1-methyl-5-nitro-1H-imidazol-2-yl)-1-(3-(4-morpholinyl)propyl)-SCHEMBL11723336DTXSID10878338Benzimidazole,1-(3(N-morpholino)propyl)-2-(1-met2-(1-Methyl-5-nitro-1H-imidazol-2-yl)-1-[3-(morpholin-4-yl)propyl]-1H-1,3-benzimidazole2-(1-METHYL-5-NITROIMIDAZOL-2-YL)-1-(3-MORPHOLINYL)PROPYL-BENZIMIDAZOLE

Database identifiers

CAS: 32063-49-3
PubChem CID: 160215
DTXSID: DTXSID10878338

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 93.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 27
Formal charge: 0
Complexity: 512

Experimental & physicochemical properties

LogP2.34

Related reactions

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Compound notes

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