N-(2-fluorophenyl)-2-[(1S)-3-(furan-2-ylmethyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide

C22H17FN4O3 — CID 38094621

About N-(2-fluorophenyl)-2-[(1S)-3-(furan-2-ylmethyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide

N-(2-fluorophenyl)-2-[(1S)-3-(furan-2-ylmethyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide (PubChem CID 38094621) has the molecular formula C22H17FN4O3 and a molecular weight of 404.40 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[(1S)-3-(furan-2-ylmethyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(2-fluorophenyl)-2-[(1S)-3-(furan-2-ylmethyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
• PubChem CID: 38094621
• Molecular Formula: C22H17FN4O3
• Molecular Weight: 404.40 g/mol
• Exact Mass: 404.13
• IUPAC Name: N-(2-fluorophenyl)-2-[(1S)-3-(furan-2-ylmethyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
• SMILES: O=C(C[C@H]1C(=O)N(Cc2ccco2)c2nc3ccccc3n21)Nc1ccccc1F
• InChI: InChI=1S/C22H17FN4O3/c23-15-7-1-2-8-16(15)24-20(28)12-19-21(29)26(13-14-6-5-11-30-14)22-25-17-9-3-4-10-18(17)27(19)22/h1-11,19H,12-13H2,(H,24,28)/t19-/m0/s1
• InChIKey: WZKNEZQEDGNLSX-IBGZPJMESA-N
• XLogP: 3.89
• TPSA: 80.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.40
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[(1S)-3-(furan-2-ylmethyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?

The IUPAC name of N-(2-fluorophenyl)-2-[(1S)-3-(furan-2-ylmethyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide (CID 38094621) is N-(2-fluorophenyl)-2-[(1S)-3-(furan-2-ylmethyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide.

What is the SMILES notation for N-(2-fluorophenyl)-2-[(1S)-3-(furan-2-ylmethyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?

The canonical SMILES for N-(2-fluorophenyl)-2-[(1S)-3-(furan-2-ylmethyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide is O=C(C[C@H]1C(=O)N(Cc2ccco2)c2nc3ccccc3n21)Nc1ccccc1F.

What is the InChIKey of N-(2-fluorophenyl)-2-[(1S)-3-(furan-2-ylmethyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?

The InChIKey is WZKNEZQEDGNLSX-IBGZPJMESA-N. The full InChI is InChI=1S/C22H17FN4O3/c23-15-7-1-2-8-16(15)24-20(28)12-19-21(29)26(13-14-6-5-11-30-14)22-25-17-9-3-4-10-18(17)27(19)22/h1-11,19H,12-13H2,(H,24,28)/t19-/m0/s1.

What are the key properties of N-(2-fluorophenyl)-2-[(1S)-3-(furan-2-ylmethyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?

N-(2-fluorophenyl)-2-[(1S)-3-(furan-2-ylmethyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide has a molecular weight of 404.40 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-fluorophenyl)-2-[(1S)-3-(furan-2-ylmethyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 38094621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).