N-(5-fluoro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide

C23H20FN5O2 — CID 20747498

About N-(5-fluoro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide

N-(5-fluoro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide (PubChem CID 20747498) has the molecular formula C23H20FN5O2 and a molecular weight of 417.44 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide.

Molecular Properties

• Compound Name: N-(5-fluoro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
• PubChem CID: 20747498
• Molecular Formula: C23H20FN5O2
• Molecular Weight: 417.44 g/mol
• Exact Mass: 417.16
• IUPAC Name: N-(5-fluoro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
• SMILES: CN1CCN=C1c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(F)cn2)cc1
• InChI: InChI=1S/C23H20FN5O2/c1-29-13-12-25-21(29)15-6-8-16(9-7-15)22(30)27-19-5-3-2-4-18(19)23(31)28-20-11-10-17(24)14-26-20/h2-11,14H,12-13H2,1H3,(H,27,30)(H,26,28,31)
• InChIKey: KQKTZPYEQVYVLM-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 86.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.44
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide?

The IUPAC name of N-(5-fluoro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide (CID 20747498) is N-(5-fluoro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide.

What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide?

The canonical SMILES for N-(5-fluoro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide is CN1CCN=C1c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(F)cn2)cc1.

What is the InChIKey of N-(5-fluoro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide?

The InChIKey is KQKTZPYEQVYVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O2/c1-29-13-12-25-21(29)15-6-8-16(9-7-15)22(30)27-19-5-3-2-4-18(19)23(31)28-20-11-10-17(24)14-26-20/h2-11,14H,12-13H2,1H3,(H,27,30)(H,26,28,31).

What are the key properties of N-(5-fluoro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide?

N-(5-fluoro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide has a molecular weight of 417.44 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-fluoro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide is sourced from PubChem (CID 20747498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).