1H-Benzimidazole, 2-(1-methyl-5-nitro-1H-imidazol-2-yl)-1-(2-(4-morpholinyl)ethyl)-

HCID 149446

Notes Reactions

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Basic information

CAS: 68703-88-8
Standard SMILES: Cn1c([N+](=O)[O-])cnc1-c1nc2ccccc2n1CCN1CCOCC1
InChIKey: UJHUZYYVUDNZST-UHFFFAOYSA-N
Molecular formula: C17H20N6O3
Average molar mass: 356.4 g/mol
Monoisotopic mass: 356.15968852

Names & identifiers

Preferred name: 1H-Benzimidazole, 2-(1-methyl-5-nitro-1H-imidazol-2-yl)-1-(2-(4-morpholinyl)ethyl)-
IUPAC: 4-[2-[2-(1-methyl-5-nitroimidazol-2-yl)benzimidazol-1-yl]ethyl]morpholine

Names & synonyms

1H-Benzimidazole, 2-(1-methyl-5-nitro-1H-imidazol-2-yl)-1-(2-(4-morpholinyl)ethyl)-68703-88-8ZK 26306SCHEMBL11722753DTXSID50218835UJHUZYYVUDNZST-UHFFFAOYSA-N1-(2-morpholinoethyl)-2-(5-nitro-1-methyl-2-imidazolyl)-benzimidazole2-(1-Methyl-5-nitro-1H-imidazol-2-yl)-1-[2-(morpholin-4-yl)ethyl]-1H-1,3-benzimidazole

Database identifiers

CAS: 68703-88-8
PubChem CID: 149446
DTXSID: DTXSID50218835

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 93.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 26
Formal charge: 0
Complexity: 497

Related reactions

2 records

New reaction record

HRID 678675As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 972497As productuspto-grants-1977_10

Compound notes

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