2-(benzimidazol-1-yl)-1-[(3R)-3-[5-[2-(3-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]ethanone

C24H24FN5O2 — CID 95831564

About 2-(benzimidazol-1-yl)-1-[(3R)-3-[5-[2-(3-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]ethanone

2-(benzimidazol-1-yl)-1-[(3R)-3-[5-[2-(3-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]ethanone (PubChem CID 95831564) has the molecular formula C24H24FN5O2 and a molecular weight of 433.49 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-1-[(3R)-3-[5-[2-(3-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(benzimidazol-1-yl)-1-[(3R)-3-[5-[2-(3-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]ethanone
• PubChem CID: 95831564
• Molecular Formula: C24H24FN5O2
• Molecular Weight: 433.49 g/mol
• Exact Mass: 433.19
• IUPAC Name: 2-(benzimidazol-1-yl)-1-[(3R)-3-[5-[2-(3-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]ethanone
• SMILES: O=C(Cn1cnc2ccccc21)N1CC[C@@H](c2cc(CCOc3cccc(F)c3)[nH]n2)C1
• InChI: InChI=1S/C24H24FN5O2/c25-18-4-3-5-20(12-18)32-11-9-19-13-22(28-27-19)17-8-10-29(14-17)24(31)15-30-16-26-21-6-1-2-7-23(21)30/h1-7,12-13,16-17H,8-11,14-15H2,(H,27,28)/t17-/m1/s1
• InChIKey: NGICGFROZVRSAS-QGZVFWFLSA-N
• XLogP: 3.54
• TPSA: 76.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.49
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-1-[(3R)-3-[5-[2-(3-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]ethanone?

The IUPAC name of 2-(benzimidazol-1-yl)-1-[(3R)-3-[5-[2-(3-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]ethanone (CID 95831564) is 2-(benzimidazol-1-yl)-1-[(3R)-3-[5-[2-(3-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]ethanone.

What is the SMILES notation for 2-(benzimidazol-1-yl)-1-[(3R)-3-[5-[2-(3-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]ethanone?

The canonical SMILES for 2-(benzimidazol-1-yl)-1-[(3R)-3-[5-[2-(3-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]ethanone is O=C(Cn1cnc2ccccc21)N1CC[C@@H](c2cc(CCOc3cccc(F)c3)[nH]n2)C1.

What is the InChIKey of 2-(benzimidazol-1-yl)-1-[(3R)-3-[5-[2-(3-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]ethanone?

The InChIKey is NGICGFROZVRSAS-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H24FN5O2/c25-18-4-3-5-20(12-18)32-11-9-19-13-22(28-27-19)17-8-10-29(14-17)24(31)15-30-16-26-21-6-1-2-7-23(21)30/h1-7,12-13,16-17H,8-11,14-15H2,(H,27,28)/t17-/m1/s1.

What are the key properties of 2-(benzimidazol-1-yl)-1-[(3R)-3-[5-[2-(3-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]ethanone?

2-(benzimidazol-1-yl)-1-[(3R)-3-[5-[2-(3-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 433.49 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(benzimidazol-1-yl)-1-[(3R)-3-[5-[2-(3-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95831564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).