(2R)-1-(4-fluorophenoxy)-3-[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol

C20H26FN3O2 — CID 129477859

About (2R)-1-(4-fluorophenoxy)-3-[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol

(2R)-1-(4-fluorophenoxy)-3-[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol (PubChem CID 129477859) has the molecular formula C20H26FN3O2 and a molecular weight of 359.45 g/mol. Its IUPAC name is (2R)-1-(4-fluorophenoxy)-3-[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-(4-fluorophenoxy)-3-[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol
• PubChem CID: 129477859
• Molecular Formula: C20H26FN3O2
• Molecular Weight: 359.45 g/mol
• Exact Mass: 359.20
• IUPAC Name: (2R)-1-(4-fluorophenoxy)-3-[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol
• SMILES: O[C@@H](COc1ccc(F)cc1)CN1CCC[C@H]1c1nc2c([nH]1)CCCC2
• InChI: InChI=1S/C20H26FN3O2/c21-14-7-9-16(10-8-14)26-13-15(25)12-24-11-3-6-19(24)20-22-17-4-1-2-5-18(17)23-20/h7-10,15,19,25H,1-6,11-13H2,(H,22,23)/t15-,19+/m1/s1
• InChIKey: ZMMXAEWPYMOFAV-BEFAXECRSA-N
• XLogP: 3.00
• TPSA: 61.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.45
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-fluorophenoxy)-3-[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol?

The IUPAC name of (2R)-1-(4-fluorophenoxy)-3-[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol (CID 129477859) is (2R)-1-(4-fluorophenoxy)-3-[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol.

What is the SMILES notation for (2R)-1-(4-fluorophenoxy)-3-[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol?

The canonical SMILES for (2R)-1-(4-fluorophenoxy)-3-[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol is O[C@@H](COc1ccc(F)cc1)CN1CCC[C@H]1c1nc2c([nH]1)CCCC2.

What is the InChIKey of (2R)-1-(4-fluorophenoxy)-3-[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol?

The InChIKey is ZMMXAEWPYMOFAV-BEFAXECRSA-N. The full InChI is InChI=1S/C20H26FN3O2/c21-14-7-9-16(10-8-14)26-13-15(25)12-24-11-3-6-19(24)20-22-17-4-1-2-5-18(17)23-20/h7-10,15,19,25H,1-6,11-13H2,(H,22,23)/t15-,19+/m1/s1.

What are the key properties of (2R)-1-(4-fluorophenoxy)-3-[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol?

(2R)-1-(4-fluorophenoxy)-3-[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol has a molecular weight of 359.45 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-(4-fluorophenoxy)-3-[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol is sourced from PubChem (CID 129477859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).