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

C19H24Cl2N4O2 — CID 119507186

IUPACN-[2-(ethylamino)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride
SMILESCCNCCNC(=O)c1cccc(OCc2cn3ccccc3n2)c1.Cl.Cl
InChIInChI=1S/C19H22N4O2.2ClH/c1-2-20-9-10-21-19(24)15-6-5-7-17(12-15)25-14-16-13-23-11-4-3-8-18(23)22-16;;/h3-8,11-13,20H,2,9-10,14H2,1H3,(H,21,24);2*1H
InChIKeyQEDHOVMOJTYGOL-UHFFFAOYSA-N
MW411.33 g/mol
LogP3.10
Rot. Bonds8

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

N-[2-(ethylamino)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride (PubChem CID 119507186) has the molecular formula C19H24Cl2N4O2 and a molecular weight of 411.33 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride
PubChem CID119507186
Molecular FormulaC19H24Cl2N4O2
Molecular Weight411.33 g/mol
Exact Mass410.13
IUPAC NameN-[2-(ethylamino)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride
SMILESCCNCCNC(=O)c1cccc(OCc2cn3ccccc3n2)c1.Cl.Cl
InChIInChI=1S/C19H22N4O2.2ClH/c1-2-20-9-10-21-19(24)15-6-5-7-17(12-15)25-14-16-13-23-11-4-3-8-18(23)22-16;;/h3-8,11-13,20H,2,9-10,14H2,1H3,(H,21,24);2*1H
InChIKeyQEDHOVMOJTYGOL-UHFFFAOYSA-N
XLogP3.10
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.33
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-(3-methylphenoxy)ethyl]benzamide
CID 30582719
N-[(3,5-dimethoxyphenyl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 55576832
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride
CID 119392764
N-[(2-chlorophenyl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 24542001
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate
CID 7063876
methyl 2-[[3-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]benzoyl]amino]acetate
CID 55848603
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 55493250
N-(4-ethylphenyl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 24542057
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-(2,4,6-trimethylphenyl)benzamide
CID 78829643
ethyl 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate
CID 112788039

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride (CID 119507186) is N-[2-(ethylamino)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride is CCNCCNC(=O)c1cccc(OCc2cn3ccccc3n2)c1.Cl.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride?
The InChIKey is QEDHOVMOJTYGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2.2ClH/c1-2-20-9-10-21-19(24)15-6-5-7-17(12-15)25-14-16-13-23-11-4-3-8-18(23)22-16;;/h3-8,11-13,20H,2,9-10,14H2,1H3,(H,21,24);2*1H.
What are the key properties of N-[2-(ethylamino)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride?
N-[2-(ethylamino)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride has a molecular weight of 411.33 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride is sourced from PubChem (CID 119507186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).