4-[5-(2-benzyl-1,3-dioxol-4-yl)-4-pyridin-2-yl-1H-imidazol-2-yl]benzamide

C25H20N4O3 — CID 67534698

IUPAC4-[5-(2-benzyl-1,3-dioxol-4-yl)-4-pyridin-2-yl-1H-imidazol-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2nc(-c3ccccn3)c(C3=COC(Cc4ccccc4)O3)[nH]2)cc1
InChIInChI=1S/C25H20N4O3/c26-24(30)17-9-11-18(12-10-17)25-28-22(19-8-4-5-13-27-19)23(29-25)20-15-31-21(32-20)14-16-6-2-1-3-7-16/h1-13,15,21H,14H2,(H2,26,30)(H,28,29)
InChIKeyIVTVSALVUMUYOJ-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.15
Rot. Bonds6

About 4-[5-(2-benzyl-1,3-dioxol-4-yl)-4-pyridin-2-yl-1H-imidazol-2-yl]benzamide

4-[5-(2-benzyl-1,3-dioxol-4-yl)-4-pyridin-2-yl-1H-imidazol-2-yl]benzamide (PubChem CID 67534698) has the molecular formula C25H20N4O3 and a molecular weight of 424.46 g/mol. Its IUPAC name is 4-[5-(2-benzyl-1,3-dioxol-4-yl)-4-pyridin-2-yl-1H-imidazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[5-(2-benzyl-1,3-dioxol-4-yl)-4-pyridin-2-yl-1H-imidazol-2-yl]benzamide
PubChem CID67534698
Molecular FormulaC25H20N4O3
Molecular Weight424.46 g/mol
Exact Mass424.15
IUPAC Name4-[5-(2-benzyl-1,3-dioxol-4-yl)-4-pyridin-2-yl-1H-imidazol-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2nc(-c3ccccn3)c(C3=COC(Cc4ccccc4)O3)[nH]2)cc1
InChIInChI=1S/C25H20N4O3/c26-24(30)17-9-11-18(12-10-17)25-28-22(19-8-4-5-13-27-19)23(29-25)20-15-31-21(32-20)14-16-6-2-1-3-7-16/h1-13,15,21H,14H2,(H2,26,30)(H,28,29)
InChIKeyIVTVSALVUMUYOJ-UHFFFAOYSA-N
XLogP4.15
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[5-(2-benzyl-1,3-dioxol-4-yl)-4-pyridin-2-yl-1H-imidazol-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-benzyl-1,3-dioxol-4-yl)-4-pyridin-2-yl-1H-imidazol-2-yl]benzamide?
The IUPAC name of 4-[5-(2-benzyl-1,3-dioxol-4-yl)-4-pyridin-2-yl-1H-imidazol-2-yl]benzamide (CID 67534698) is 4-[5-(2-benzyl-1,3-dioxol-4-yl)-4-pyridin-2-yl-1H-imidazol-2-yl]benzamide.
What is the SMILES notation for 4-[5-(2-benzyl-1,3-dioxol-4-yl)-4-pyridin-2-yl-1H-imidazol-2-yl]benzamide?
The canonical SMILES for 4-[5-(2-benzyl-1,3-dioxol-4-yl)-4-pyridin-2-yl-1H-imidazol-2-yl]benzamide is NC(=O)c1ccc(-c2nc(-c3ccccn3)c(C3=COC(Cc4ccccc4)O3)[nH]2)cc1.
What is the InChIKey of 4-[5-(2-benzyl-1,3-dioxol-4-yl)-4-pyridin-2-yl-1H-imidazol-2-yl]benzamide?
The InChIKey is IVTVSALVUMUYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3/c26-24(30)17-9-11-18(12-10-17)25-28-22(19-8-4-5-13-27-19)23(29-25)20-15-31-21(32-20)14-16-6-2-1-3-7-16/h1-13,15,21H,14H2,(H2,26,30)(H,28,29).
What are the key properties of 4-[5-(2-benzyl-1,3-dioxol-4-yl)-4-pyridin-2-yl-1H-imidazol-2-yl]benzamide?
4-[5-(2-benzyl-1,3-dioxol-4-yl)-4-pyridin-2-yl-1H-imidazol-2-yl]benzamide has a molecular weight of 424.46 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-benzyl-1,3-dioxol-4-yl)-4-pyridin-2-yl-1H-imidazol-2-yl]benzamide is sourced from PubChem (CID 67534698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).