2,3-dihydro-1-benzofuran-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone

C20H18FN3O2 — CID 99976246

About 2,3-dihydro-1-benzofuran-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone

2,3-dihydro-1-benzofuran-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 99976246) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: 2,3-dihydro-1-benzofuran-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
• PubChem CID: 99976246
• Molecular Formula: C20H18FN3O2
• Molecular Weight: 351.38 g/mol
• Exact Mass: 351.14
• IUPAC Name: 2,3-dihydro-1-benzofuran-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
• SMILES: O=C(c1ccc2c(c1)CCO2)N1CCC[C@H]1c1nc2ccc(F)cc2[nH]1
• InChI: InChI=1S/C20H18FN3O2/c21-14-4-5-15-16(11-14)23-19(22-15)17-2-1-8-24(17)20(25)13-3-6-18-12(10-13)7-9-26-18/h3-6,10-11,17H,1-2,7-9H2,(H,22,23)/t17-/m0/s1
• InChIKey: NVJJOAOVYNAJAI-KRWDZBQOSA-N
• XLogP: 3.61
• TPSA: 58.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.38
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone?

The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone (CID 99976246) is 2,3-dihydro-1-benzofuran-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone.

What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone?

The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone is O=C(c1ccc2c(c1)CCO2)N1CCC[C@H]1c1nc2ccc(F)cc2[nH]1.

What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone?

The InChIKey is NVJJOAOVYNAJAI-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H18FN3O2/c21-14-4-5-15-16(11-14)23-19(22-15)17-2-1-8-24(17)20(25)13-3-6-18-12(10-13)7-9-26-18/h3-6,10-11,17H,1-2,7-9H2,(H,22,23)/t17-/m0/s1.

What are the key properties of 2,3-dihydro-1-benzofuran-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone?

2,3-dihydro-1-benzofuran-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 351.38 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dihydro-1-benzofuran-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 99976246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).