1H-benzimidazol-2-yl-[(3R)-3-[3-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone

C21H21N5O3 — CID 54670209

About 1H-benzimidazol-2-yl-[(3R)-3-[3-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone

1H-benzimidazol-2-yl-[(3R)-3-[3-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone (PubChem CID 54670209) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[(3R)-3-[3-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: 1H-benzimidazol-2-yl-[(3R)-3-[3-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone
• PubChem CID: 54670209
• Molecular Formula: C21H21N5O3
• Molecular Weight: 391.43 g/mol
• Exact Mass: 391.16
• IUPAC Name: 1H-benzimidazol-2-yl-[(3R)-3-[3-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone
• SMILES: O=C(c1nc2ccccc2[nH]1)N1CC[C@@H](Oc2nccnc2C2=CCOCC2)C1
• InChI: InChI=1S/C21H21N5O3/c27-21(19-24-16-3-1-2-4-17(16)25-19)26-10-5-15(13-26)29-20-18(22-8-9-23-20)14-6-11-28-12-7-14/h1-4,6,8-9,15H,5,7,10-13H2,(H,24,25)/t15-/m1/s1
• InChIKey: OLCZFKAXJUDOBK-OAHLLOKOSA-N
• XLogP: 2.45
• TPSA: 93.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.43
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[(3R)-3-[3-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone?

The IUPAC name of 1H-benzimidazol-2-yl-[(3R)-3-[3-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone (CID 54670209) is 1H-benzimidazol-2-yl-[(3R)-3-[3-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone.

What is the SMILES notation for 1H-benzimidazol-2-yl-[(3R)-3-[3-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone?

The canonical SMILES for 1H-benzimidazol-2-yl-[(3R)-3-[3-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone is O=C(c1nc2ccccc2[nH]1)N1CC[C@@H](Oc2nccnc2C2=CCOCC2)C1.

What is the InChIKey of 1H-benzimidazol-2-yl-[(3R)-3-[3-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone?

The InChIKey is OLCZFKAXJUDOBK-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H21N5O3/c27-21(19-24-16-3-1-2-4-17(16)25-19)26-10-5-15(13-26)29-20-18(22-8-9-23-20)14-6-11-28-12-7-14/h1-4,6,8-9,15H,5,7,10-13H2,(H,24,25)/t15-/m1/s1.

What are the key properties of 1H-benzimidazol-2-yl-[(3R)-3-[3-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone?

1H-benzimidazol-2-yl-[(3R)-3-[3-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone has a molecular weight of 391.43 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-benzimidazol-2-yl-[(3R)-3-[3-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 54670209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).