2-[4-(4-Methoxy-phenyl)-piperazin-1-ylmethyl]-1H-benzoimidazole

HCID 667675

Notes Reactions

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Basic information

Standard SMILES: COc1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1
InChIKey: PLZGMXJBKUDIRE-UHFFFAOYSA-N
Molecular formula: C19H22N4O
Average molar mass: 322.4 g/mol

Names & identifiers

Preferred name: 2-[4-(4-Methoxy-phenyl)-piperazin-1-ylmethyl]-1H-benzoimidazole
IUPAC: 2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1H-benzimidazole

Names & synonyms

CHEMBL77969159307-85-4MLS001170829SCHEMBL8689422PLZGMXJBKUDIRE-UHFFFAOYSA-NHMS1766I05HMS2909P15BDBM50145072EBC-07273WAY-632031SMR000591644EN300-26867078

Show more names

L011687Z556218652-[4-(4-Methoxyphenyl)piperazin-1-yl methyl]benzimidazole2-[4-(4-Methoxyphenyl)piperazin-1-ylmethyl]benzimidazole2-[4-(4-Methoxy-phenyl)-piperazin-1-ylmethyl]-1H-benzoimidazole2-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1H-1,3-benzodiazole

Database identifiers

PubChem CID: 667675
ChEMBL: CHEMBL77969

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 44.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 24
Formal charge: 0
Complexity: 391

Experimental & physicochemical properties

Solubility>48.4 [ug/mL] (The mean of the results at pH 7.4)

Related reactions

2 records

New reaction record

HRID 96054As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 481957As productuspto-grants-1998_08

Compound notes

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