3-methoxy-N-methyl-N-[4-methyl-2-[5-(4-methylpiperazin-1-yl)carbonylpent-1-yloxy]-phenyl]-4-[2-(4-pyridyl)-1H-benzimidazol-4-yl]carbonylamino-benzamide trihydrochloride

HCID 22012509
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Basic information

Standard SMILES
COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1NC(=O)c1cccc2[nH]c(-c3ccncc3)nc12.Cl.Cl.Cl
InChIKey
QMXBMNXJZJRDFU-UHFFFAOYSA-N
Molecular formula
C40H48Cl3N7O5
Average molar mass
813.2 g/mol

Names & identifiers

Preferred name
3-methoxy-N-methyl-N-[4-methyl-2-[5-(4-methylpiperazin-1-yl)carbonylpent-1-yloxy]-phenyl]-4-[2-(4-pyridyl)-1H-benzimidazol-4-yl]carbonylamino-benzamide trihydrochloride
IUPAC
N-[2-methoxy-4-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]carbamoyl]phenyl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide;trihydrochloride

Names & synonyms

SCHEMBL7954185QMXBMNXJZJRDFU-UHFFFAOYSA-N3-methoxy-N-methyl-N-[4-methyl-2-[5-(4-methylpiperazin-1-yl)carbonylpent-1-yloxy]-phenyl]-4-[2-(4-pyridyl)-1H-benzimidazol-4-yl]carbonylamino-benzamide trihydrochloride

Database identifiers

PubChem CID
22012509

Properties

Computed structural properties

Topological polar surface area
133 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
8
Rotatable bonds
13
Heavy atoms
55

Related reactions

1 records
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Compound notes

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