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

C24H23N3O3 — CID 30582719

IUPAC3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[2-(3-methylphenoxy)ethyl]benzamide
SMILESCc1cccc(OCCNC(=O)c2cccc(OCc3cn4ccccc4n3)c2)c1
InChIInChI=1S/C24H23N3O3/c1-18-6-4-8-21(14-18)29-13-11-25-24(28)19-7-5-9-22(15-19)30-17-20-16-27-12-3-2-10-23(27)26-20/h2-10,12,14-16H,11,13,17H2,1H3,(H,25,28)
InChIKeyHPWTVIIORKBFLW-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.03
Rot. Bonds8

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

3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[2-(3-methylphenoxy)ethyl]benzamide (PubChem CID 30582719) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[2-(3-methylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[2-(3-methylphenoxy)ethyl]benzamide
PubChem CID30582719
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[2-(3-methylphenoxy)ethyl]benzamide
SMILESCc1cccc(OCCNC(=O)c2cccc(OCc3cn4ccccc4n3)c2)c1
InChIInChI=1S/C24H23N3O3/c1-18-6-4-8-21(14-18)29-13-11-25-24(28)19-7-5-9-22(15-19)30-17-20-16-27-12-3-2-10-23(27)26-20/h2-10,12,14-16H,11,13,17H2,1H3,(H,25,28)
InChIKeyHPWTVIIORKBFLW-UHFFFAOYSA-N
XLogP4.03
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.03
H-Bond Donors ≤ 51
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
N-[2-(ethylamino)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride
CID 119507186
N-(2-methoxyethyl)-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 134024136
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-(2,4,6-trimethylphenyl)benzamide
CID 78829643
3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-propylbenzamide
CID 30661051
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(2S)-4-methoxybutan-2-yl]benzamide
CID 52843285
N-[(3,5-dimethoxyphenyl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 55576832
ethyl 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate
CID 112788039
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-piperidin-4-ylbenzamide
CID 119388257
N-[(2-chlorophenyl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 24542001
N-ethyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 51112147

Frequently Asked Questions

What is the IUPAC name of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[2-(3-methylphenoxy)ethyl]benzamide?
The IUPAC name of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[2-(3-methylphenoxy)ethyl]benzamide (CID 30582719) is 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[2-(3-methylphenoxy)ethyl]benzamide.
What is the SMILES notation for 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[2-(3-methylphenoxy)ethyl]benzamide?
The canonical SMILES for 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[2-(3-methylphenoxy)ethyl]benzamide is Cc1cccc(OCCNC(=O)c2cccc(OCc3cn4ccccc4n3)c2)c1.
What is the InChIKey of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[2-(3-methylphenoxy)ethyl]benzamide?
The InChIKey is HPWTVIIORKBFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-18-6-4-8-21(14-18)29-13-11-25-24(28)19-7-5-9-22(15-19)30-17-20-16-27-12-3-2-10-23(27)26-20/h2-10,12,14-16H,11,13,17H2,1H3,(H,25,28).
What are the key properties of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[2-(3-methylphenoxy)ethyl]benzamide?
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[2-(3-methylphenoxy)ethyl]benzamide has a molecular weight of 401.47 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[2-(3-methylphenoxy)ethyl]benzamide is sourced from PubChem (CID 30582719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).