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

C21H18FN3O2 — CID 95873622

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

[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone (PubChem CID 95873622) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is [(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone.

Molecular Properties

• Compound Name: [(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
• PubChem CID: 95873622
• Molecular Formula: C21H18FN3O2
• Molecular Weight: 363.39 g/mol
• Exact Mass: 363.14
• IUPAC Name: [(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
• SMILES: Cc1cc2cc(C(=O)N3CCC[C@H]3c3nc4ccc(F)cc4[nH]3)ccc2o1
• InChI: InChI=1S/C21H18FN3O2/c1-12-9-14-10-13(4-7-19(14)27-12)21(26)25-8-2-3-18(25)20-23-16-6-5-15(22)11-17(16)24-20/h4-7,9-11,18H,2-3,8H2,1H3,(H,23,24)/t18-/m0/s1
• InChIKey: PEIZXURAWLSWLM-SFHVURJKSA-N
• XLogP: 4.73
• TPSA: 62.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.39
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of [(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone (CID 95873622) is [(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone.

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

The canonical SMILES for [(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone is Cc1cc2cc(C(=O)N3CCC[C@H]3c3nc4ccc(F)cc4[nH]3)ccc2o1.

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

The InChIKey is PEIZXURAWLSWLM-SFHVURJKSA-N. The full InChI is InChI=1S/C21H18FN3O2/c1-12-9-14-10-13(4-7-19(14)27-12)21(26)25-8-2-3-18(25)20-23-16-6-5-15(22)11-17(16)24-20/h4-7,9-11,18H,2-3,8H2,1H3,(H,23,24)/t18-/m0/s1.

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

[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone has a molecular weight of 363.39 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone is sourced from PubChem (CID 95873622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).