3-[5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-N-methoxybenzamide

C24H26N4O3 — CID 89098081

IUPAC3-[5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-N-methoxybenzamide
SMILESCONC(=O)c1cccc(-c2nc3c(n2C)CN(Cc2cccc4c2OCC4)CC3)c1
InChIInChI=1S/C24H26N4O3/c1-27-21-15-28(14-19-8-3-5-16-10-12-31-22(16)19)11-9-20(21)25-23(27)17-6-4-7-18(13-17)24(29)26-30-2/h3-8,13H,9-12,14-15H2,1-2H3,(H,26,29)
InChIKeyQYLHAKBOMVDQPR-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.87
Rot. Bonds5

About 3-[5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-N-methoxybenzamide

3-[5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-N-methoxybenzamide (PubChem CID 89098081) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 3-[5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-N-methoxybenzamide.

Molecular Properties

Compound Name3-[5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-N-methoxybenzamide
PubChem CID89098081
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name3-[5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-N-methoxybenzamide
SMILESCONC(=O)c1cccc(-c2nc3c(n2C)CN(Cc2cccc4c2OCC4)CC3)c1
InChIInChI=1S/C24H26N4O3/c1-27-21-15-28(14-19-8-3-5-16-10-12-31-22(16)19)11-9-20(21)25-23(27)17-6-4-7-18(13-17)24(29)26-30-2/h3-8,13H,9-12,14-15H2,1-2H3,(H,26,29)
InChIKeyQYLHAKBOMVDQPR-UHFFFAOYSA-N
XLogP2.87
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-N-methoxybenzamide?
The IUPAC name of 3-[5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-N-methoxybenzamide (CID 89098081) is 3-[5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-N-methoxybenzamide.
What is the SMILES notation for 3-[5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-N-methoxybenzamide?
The canonical SMILES for 3-[5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-N-methoxybenzamide is CONC(=O)c1cccc(-c2nc3c(n2C)CN(Cc2cccc4c2OCC4)CC3)c1.
What is the InChIKey of 3-[5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-N-methoxybenzamide?
The InChIKey is QYLHAKBOMVDQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-27-21-15-28(14-19-8-3-5-16-10-12-31-22(16)19)11-9-20(21)25-23(27)17-6-4-7-18(13-17)24(29)26-30-2/h3-8,13H,9-12,14-15H2,1-2H3,(H,26,29).
What are the key properties of 3-[5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-N-methoxybenzamide?
3-[5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-N-methoxybenzamide has a molecular weight of 418.50 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-N-methoxybenzamide is sourced from PubChem (CID 89098081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).