4-[1-[2-(1H-benzimidazol-2-yl)ethyl]azetidin-3-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-4-oxobutanamide

C22H24FN5O2 — CID 157259808

About 4-[1-[2-(1H-benzimidazol-2-yl)ethyl]azetidin-3-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-4-oxobutanamide

4-[1-[2-(1H-benzimidazol-2-yl)ethyl]azetidin-3-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-4-oxobutanamide (PubChem CID 157259808) has the molecular formula C22H24FN5O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is 4-[1-[2-(1H-benzimidazol-2-yl)ethyl]azetidin-3-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-4-oxobutanamide.

Molecular Properties

• Compound Name: 4-[1-[2-(1H-benzimidazol-2-yl)ethyl]azetidin-3-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-4-oxobutanamide
• PubChem CID: 157259808
• Molecular Formula: C22H24FN5O2
• Molecular Weight: 409.47 g/mol
• Exact Mass: 409.19
• IUPAC Name: 4-[1-[2-(1H-benzimidazol-2-yl)ethyl]azetidin-3-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-4-oxobutanamide
• SMILES: O=C(CCC(=O)C1CN(CCc2nc3ccccc3[nH]2)C1)NCc1ncccc1F
• InChI: InChI=1S/C22H24FN5O2/c23-16-4-3-10-24-19(16)12-25-22(30)8-7-20(29)15-13-28(14-15)11-9-21-26-17-5-1-2-6-18(17)27-21/h1-6,10,15H,7-9,11-14H2,(H,25,30)(H,26,27)
• InChIKey: SPZIWALJHPKFNY-UHFFFAOYSA-N
• XLogP: 2.24
• TPSA: 90.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.47
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(1H-benzimidazol-2-yl)ethyl]azetidin-3-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-4-oxobutanamide?

The IUPAC name of 4-[1-[2-(1H-benzimidazol-2-yl)ethyl]azetidin-3-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-4-oxobutanamide (CID 157259808) is 4-[1-[2-(1H-benzimidazol-2-yl)ethyl]azetidin-3-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-4-oxobutanamide.

What is the SMILES notation for 4-[1-[2-(1H-benzimidazol-2-yl)ethyl]azetidin-3-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-4-oxobutanamide?

The canonical SMILES for 4-[1-[2-(1H-benzimidazol-2-yl)ethyl]azetidin-3-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-4-oxobutanamide is O=C(CCC(=O)C1CN(CCc2nc3ccccc3[nH]2)C1)NCc1ncccc1F.

What is the InChIKey of 4-[1-[2-(1H-benzimidazol-2-yl)ethyl]azetidin-3-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-4-oxobutanamide?

The InChIKey is SPZIWALJHPKFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O2/c23-16-4-3-10-24-19(16)12-25-22(30)8-7-20(29)15-13-28(14-15)11-9-21-26-17-5-1-2-6-18(17)27-21/h1-6,10,15H,7-9,11-14H2,(H,25,30)(H,26,27).

What are the key properties of 4-[1-[2-(1H-benzimidazol-2-yl)ethyl]azetidin-3-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-4-oxobutanamide?

4-[1-[2-(1H-benzimidazol-2-yl)ethyl]azetidin-3-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-4-oxobutanamide has a molecular weight of 409.47 g/mol, XLogP of 2.24, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[2-(1H-benzimidazol-2-yl)ethyl]azetidin-3-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-4-oxobutanamide is sourced from PubChem (CID 157259808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).