1H-benzimidazol-2-yl-[3-[3-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone

C19H20N6O2 — CID 58546995

About 1H-benzimidazol-2-yl-[3-[3-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone

1H-benzimidazol-2-yl-[3-[3-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone (PubChem CID 58546995) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[3-[3-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone.

Molecular Properties

• Compound Name: 1H-benzimidazol-2-yl-[3-[3-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone
• PubChem CID: 58546995
• Molecular Formula: C19H20N6O2
• Molecular Weight: 364.41 g/mol
• Exact Mass: 364.16
• IUPAC Name: 1H-benzimidazol-2-yl-[3-[3-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone
• SMILES: O=C(c1nc2ccccc2[nH]1)N1CC(c2nccnc2N2CC[C@@H](O)C2)C1
• InChI: InChI=1S/C19H20N6O2/c26-13-5-8-24(11-13)18-16(20-6-7-21-18)12-9-25(10-12)19(27)17-22-14-3-1-2-4-15(14)23-17/h1-4,6-7,12-13,26H,5,8-11H2,(H,22,23)/t13-/m1/s1
• InChIKey: SZQIATLHQGUNAU-CYBMUJFWSA-N
• XLogP: 1.16
• TPSA: 98.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.41
LogP ≤ 5	1.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[3-[3-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone?

The IUPAC name of 1H-benzimidazol-2-yl-[3-[3-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone (CID 58546995) is 1H-benzimidazol-2-yl-[3-[3-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone.

What is the SMILES notation for 1H-benzimidazol-2-yl-[3-[3-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone?

The canonical SMILES for 1H-benzimidazol-2-yl-[3-[3-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone is O=C(c1nc2ccccc2[nH]1)N1CC(c2nccnc2N2CC[C@@H](O)C2)C1.

What is the InChIKey of 1H-benzimidazol-2-yl-[3-[3-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone?

The InChIKey is SZQIATLHQGUNAU-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20N6O2/c26-13-5-8-24(11-13)18-16(20-6-7-21-18)12-9-25(10-12)19(27)17-22-14-3-1-2-4-15(14)23-17/h1-4,6-7,12-13,26H,5,8-11H2,(H,22,23)/t13-/m1/s1.

What are the key properties of 1H-benzimidazol-2-yl-[3-[3-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone?

1H-benzimidazol-2-yl-[3-[3-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone has a molecular weight of 364.41 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-benzimidazol-2-yl-[3-[3-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 58546995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).