4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]-N-methoxybenzamide

C23H18N4O4 — CID 10180014

IUPAC4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]-N-methoxybenzamide
SMILESCONC(=O)c1ccc(-c2nc(-c3ccc4c(c3)OCO4)c(-c3ccccn3)[nH]2)cc1
InChIInChI=1S/C23H18N4O4/c1-29-27-23(28)15-7-5-14(6-8-15)22-25-20(21(26-22)17-4-2-3-11-24-17)16-9-10-18-19(12-16)31-13-30-18/h2-12H,13H2,1H3,(H,25,26)(H,27,28)
InChIKeyJHOOMOMQZBDSFG-UHFFFAOYSA-N
MW414.42 g/mol
LogP3.83
Rot. Bonds5

About 4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]-N-methoxybenzamide

4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]-N-methoxybenzamide (PubChem CID 10180014) has the molecular formula C23H18N4O4 and a molecular weight of 414.42 g/mol. Its IUPAC name is 4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]-N-methoxybenzamide.

Molecular Properties

Compound Name4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]-N-methoxybenzamide
PubChem CID10180014
Molecular FormulaC23H18N4O4
Molecular Weight414.42 g/mol
Exact Mass414.13
IUPAC Name4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]-N-methoxybenzamide
SMILESCONC(=O)c1ccc(-c2nc(-c3ccc4c(c3)OCO4)c(-c3ccccn3)[nH]2)cc1
InChIInChI=1S/C23H18N4O4/c1-29-27-23(28)15-7-5-14(6-8-15)22-25-20(21(26-22)17-4-2-3-11-24-17)16-9-10-18-19(12-16)31-13-30-18/h2-12H,13H2,1H3,(H,25,26)(H,27,28)
InChIKeyJHOOMOMQZBDSFG-UHFFFAOYSA-N
XLogP3.83
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 53.83
H-Bond Donors ≤ 52
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 4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]-N-methoxybenzamide?
The IUPAC name of 4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]-N-methoxybenzamide (CID 10180014) is 4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]-N-methoxybenzamide.
What is the SMILES notation for 4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]-N-methoxybenzamide?
The canonical SMILES for 4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]-N-methoxybenzamide is CONC(=O)c1ccc(-c2nc(-c3ccc4c(c3)OCO4)c(-c3ccccn3)[nH]2)cc1.
What is the InChIKey of 4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]-N-methoxybenzamide?
The InChIKey is JHOOMOMQZBDSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O4/c1-29-27-23(28)15-7-5-14(6-8-15)22-25-20(21(26-22)17-4-2-3-11-24-17)16-9-10-18-19(12-16)31-13-30-18/h2-12H,13H2,1H3,(H,25,26)(H,27,28).
What are the key properties of 4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]-N-methoxybenzamide?
4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]-N-methoxybenzamide has a molecular weight of 414.42 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]-N-methoxybenzamide is sourced from PubChem (CID 10180014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).