(1-ethyl-2,5-dimethylpyrrol-3-yl)-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone

C20H23FN4O — CID 95891966

About (1-ethyl-2,5-dimethylpyrrol-3-yl)-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone

(1-ethyl-2,5-dimethylpyrrol-3-yl)-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 95891966) has the molecular formula C20H23FN4O and a molecular weight of 354.43 g/mol. Its IUPAC name is (1-ethyl-2,5-dimethylpyrrol-3-yl)-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: (1-ethyl-2,5-dimethylpyrrol-3-yl)-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
• PubChem CID: 95891966
• Molecular Formula: C20H23FN4O
• Molecular Weight: 354.43 g/mol
• Exact Mass: 354.19
• IUPAC Name: (1-ethyl-2,5-dimethylpyrrol-3-yl)-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
• SMILES: CCn1c(C)cc(C(=O)N2CCC[C@@H]2c2nc3ccc(F)cc3[nH]2)c1C
• InChI: InChI=1S/C20H23FN4O/c1-4-24-12(2)10-15(13(24)3)20(26)25-9-5-6-18(25)19-22-16-8-7-14(21)11-17(16)23-19/h7-8,10-11,18H,4-6,9H2,1-3H3,(H,22,23)/t18-/m1/s1
• InChIKey: AVIDRIKFZUXOCW-GOSISDBHSA-N
• XLogP: 4.12
• TPSA: 53.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.43
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of (1-ethyl-2,5-dimethylpyrrol-3-yl)-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone (CID 95891966) is (1-ethyl-2,5-dimethylpyrrol-3-yl)-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone.

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

The canonical SMILES for (1-ethyl-2,5-dimethylpyrrol-3-yl)-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone is CCn1c(C)cc(C(=O)N2CCC[C@@H]2c2nc3ccc(F)cc3[nH]2)c1C.

What is the InChIKey of (1-ethyl-2,5-dimethylpyrrol-3-yl)-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone?

The InChIKey is AVIDRIKFZUXOCW-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23FN4O/c1-4-24-12(2)10-15(13(24)3)20(26)25-9-5-6-18(25)19-22-16-8-7-14(21)11-17(16)23-19/h7-8,10-11,18H,4-6,9H2,1-3H3,(H,22,23)/t18-/m1/s1.

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

(1-ethyl-2,5-dimethylpyrrol-3-yl)-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 354.43 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (1-ethyl-2,5-dimethylpyrrol-3-yl)-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95891966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).