[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone

C20H20FN3OS — CID 125159765

About [(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone

[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone (PubChem CID 125159765) has the molecular formula C20H20FN3OS and a molecular weight of 369.47 g/mol. Its IUPAC name is [(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone.

Molecular Properties

• Compound Name: [(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
• PubChem CID: 125159765
• Molecular Formula: C20H20FN3OS
• Molecular Weight: 369.47 g/mol
• Exact Mass: 369.13
• IUPAC Name: [(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
• SMILES: O=C(c1csc2c1CCCC2)N1CCC[C@@H]1c1nc2ccc(F)cc2[nH]1
• InChI: InChI=1S/C20H20FN3OS/c21-12-7-8-15-16(10-12)23-19(22-15)17-5-3-9-24(17)20(25)14-11-26-18-6-2-1-4-13(14)18/h7-8,10-11,17H,1-6,9H2,(H,22,23)/t17-/m1/s1
• InChIKey: YLWOIFXQBRXBLB-QGZVFWFLSA-N
• XLogP: 4.62
• TPSA: 48.99 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	369.47
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone?

The IUPAC name of [(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone (CID 125159765) is [(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone.

What is the SMILES notation for [(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone?

The canonical SMILES for [(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone is O=C(c1csc2c1CCCC2)N1CCC[C@@H]1c1nc2ccc(F)cc2[nH]1.

What is the InChIKey of [(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone?

The InChIKey is YLWOIFXQBRXBLB-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H20FN3OS/c21-12-7-8-15-16(10-12)23-19(22-15)17-5-3-9-24(17)20(25)14-11-26-18-6-2-1-4-13(14)18/h7-8,10-11,17H,1-6,9H2,(H,22,23)/t17-/m1/s1.

What are the key properties of [(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone?

[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone has a molecular weight of 369.47 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone is sourced from PubChem (CID 125159765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).