3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride

C22H29Cl2N5O2 — CID 119392764

IUPAC3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride
SMILESCl.Cl.O=C(NCCCN1CCNCC1)c1cccc(OCc2cn3ccccc3n2)c1
InChIInChI=1S/C22H27N5O2.2ClH/c28-22(24-8-4-11-26-13-9-23-10-14-26)18-5-3-6-20(15-18)29-17-19-16-27-12-2-1-7-21(27)25-19;;/h1-3,5-7,12,15-16,23H,4,8-11,13-14,17H2,(H,24,28);2*1H
InChIKeyDGOOCIBUUQGDHF-UHFFFAOYSA-N
MW466.41 g/mol
LogP2.78
Rot. Bonds8

About 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride

3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride (PubChem CID 119392764) has the molecular formula C22H29Cl2N5O2 and a molecular weight of 466.41 g/mol. Its IUPAC name is 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride.

Molecular Properties

Compound Name3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride
PubChem CID119392764
Molecular FormulaC22H29Cl2N5O2
Molecular Weight466.41 g/mol
Exact Mass465.17
IUPAC Name3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride
SMILESCl.Cl.O=C(NCCCN1CCNCC1)c1cccc(OCc2cn3ccccc3n2)c1
InChIInChI=1S/C22H27N5O2.2ClH/c28-22(24-8-4-11-26-13-9-23-10-14-26)18-5-3-6-20(15-18)29-17-19-16-27-12-2-1-7-21(27)25-19;;/h1-3,5-7,12,15-16,23H,4,8-11,13-14,17H2,(H,24,28);2*1H
InChIKeyDGOOCIBUUQGDHF-UHFFFAOYSA-N
XLogP2.78
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-pentylbenzamide
CID 134009641
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[3-(methylamino)propyl]benzamide
CID 119431980
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-piperidin-4-ylbenzamide
CID 119388257
N-[2-(ethylamino)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride
CID 119507186
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-(piperidin-3-ylmethyl)benzamide
CID 119462373
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 30582719
N-(3-piperazin-1-ylpropyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 119391833
N-(3-piperazin-1-ylpropyl)-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride
CID 119394379
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride
CID 119457516
3-(3-methoxypropoxy)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391567
N-(1-benzylpiperidin-4-yl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 24541999
N-[(2-chlorophenyl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 24542001

Frequently Asked Questions

What is the IUPAC name of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride?
The IUPAC name of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride (CID 119392764) is 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride.
What is the SMILES notation for 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride?
The canonical SMILES for 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride is Cl.Cl.O=C(NCCCN1CCNCC1)c1cccc(OCc2cn3ccccc3n2)c1.
What is the InChIKey of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride?
The InChIKey is DGOOCIBUUQGDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2.2ClH/c28-22(24-8-4-11-26-13-9-23-10-14-26)18-5-3-6-20(15-18)29-17-19-16-27-12-2-1-7-21(27)25-19;;/h1-3,5-7,12,15-16,23H,4,8-11,13-14,17H2,(H,24,28);2*1H.
What are the key properties of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride?
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride has a molecular weight of 466.41 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride is sourced from PubChem (CID 119392764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).