2-(2-methoxyphenoxy)-N-[[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]methyl]ethanamine;dihydrochloride

C23H32Cl2N4O2 — CID 19749602

IUPAC2-(2-methoxyphenoxy)-N-[[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]methyl]ethanamine;dihydrochloride
SMILESCOc1ccccc1OCCNCC1CCN(c2nc3ccccc3n2C)CC1.Cl.Cl
InChIInChI=1S/C23H30N4O2.2ClH/c1-26-20-8-4-3-7-19(20)25-23(26)27-14-11-18(12-15-27)17-24-13-16-29-22-10-6-5-9-21(22)28-2;;/h3-10,18,24H,11-17H2,1-2H3;2*1H
InChIKeyHGIAVRSPZUHIIS-UHFFFAOYSA-N
MW467.44 g/mol
LogP4.31
Rot. Bonds8

About 2-(2-methoxyphenoxy)-N-[[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]methyl]ethanamine;dihydrochloride

2-(2-methoxyphenoxy)-N-[[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]methyl]ethanamine;dihydrochloride (PubChem CID 19749602) has the molecular formula C23H32Cl2N4O2 and a molecular weight of 467.44 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]methyl]ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]methyl]ethanamine;dihydrochloride
PubChem CID19749602
Molecular FormulaC23H32Cl2N4O2
Molecular Weight467.44 g/mol
Exact Mass466.19
IUPAC Name2-(2-methoxyphenoxy)-N-[[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]methyl]ethanamine;dihydrochloride
SMILESCOc1ccccc1OCCNCC1CCN(c2nc3ccccc3n2C)CC1.Cl.Cl
InChIInChI=1S/C23H30N4O2.2ClH/c1-26-20-8-4-3-7-19(20)25-23(26)27-14-11-18(12-15-27)17-24-13-16-29-22-10-6-5-9-21(22)28-2;;/h3-10,18,24H,11-17H2,1-2H3;2*1H
InChIKeyHGIAVRSPZUHIIS-UHFFFAOYSA-N
XLogP4.31
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]methyl]ethanamine;dihydrochloride?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]methyl]ethanamine;dihydrochloride (CID 19749602) is 2-(2-methoxyphenoxy)-N-[[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]methyl]ethanamine;dihydrochloride.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]methyl]ethanamine;dihydrochloride?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]methyl]ethanamine;dihydrochloride is COc1ccccc1OCCNCC1CCN(c2nc3ccccc3n2C)CC1.Cl.Cl.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]methyl]ethanamine;dihydrochloride?
The InChIKey is HGIAVRSPZUHIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2.2ClH/c1-26-20-8-4-3-7-19(20)25-23(26)27-14-11-18(12-15-27)17-24-13-16-29-22-10-6-5-9-21(22)28-2;;/h3-10,18,24H,11-17H2,1-2H3;2*1H.
What are the key properties of 2-(2-methoxyphenoxy)-N-[[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]methyl]ethanamine;dihydrochloride?
2-(2-methoxyphenoxy)-N-[[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]methyl]ethanamine;dihydrochloride has a molecular weight of 467.44 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-[[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]methyl]ethanamine;dihydrochloride is sourced from PubChem (CID 19749602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).