N-[(3,5-dimethoxyphenyl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide

C24H23N3O4 — CID 55576832

IUPACN-[(3,5-dimethoxyphenyl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
SMILESCOc1cc(CNC(=O)c2cccc(OCc3cn4ccccc4n3)c2)cc(OC)c1
InChIInChI=1S/C24H23N3O4/c1-29-21-10-17(11-22(13-21)30-2)14-25-24(28)18-6-5-7-20(12-18)31-16-19-15-27-9-4-3-8-23(27)26-19/h3-13,15H,14,16H2,1-2H3,(H,25,28)
InChIKeyZTRDHMLXTOPZPT-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.86
Rot. Bonds8

About N-[(3,5-dimethoxyphenyl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide

N-[(3,5-dimethoxyphenyl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide (PubChem CID 55576832) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
PubChem CID55576832
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
SMILESCOc1cc(CNC(=O)c2cccc(OCc3cn4ccccc4n3)c2)cc(OC)c1
InChIInChI=1S/C24H23N3O4/c1-29-21-10-17(11-22(13-21)30-2)14-25-24(28)18-6-5-7-20(12-18)31-16-19-15-27-9-4-3-8-23(27)26-19/h3-13,15H,14,16H2,1-2H3,(H,25,28)
InChIKeyZTRDHMLXTOPZPT-UHFFFAOYSA-N
XLogP3.86
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide (CID 55576832) is N-[(3,5-dimethoxyphenyl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide is COc1cc(CNC(=O)c2cccc(OCc3cn4ccccc4n3)c2)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide?
The InChIKey is ZTRDHMLXTOPZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-29-21-10-17(11-22(13-21)30-2)14-25-24(28)18-6-5-7-20(12-18)31-16-19-15-27-9-4-3-8-23(27)26-19/h3-13,15H,14,16H2,1-2H3,(H,25,28).
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide?
N-[(3,5-dimethoxyphenyl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide has a molecular weight of 417.47 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide is sourced from PubChem (CID 55576832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).