2-cyclopropyl-5-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one

C20H21N5O2 — CID 56885278

About 2-cyclopropyl-5-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one

2-cyclopropyl-5-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one (PubChem CID 56885278) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-cyclopropyl-5-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

• Compound Name: 2-cyclopropyl-5-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one
• PubChem CID: 56885278
• Molecular Formula: C20H21N5O2
• Molecular Weight: 363.42 g/mol
• Exact Mass: 363.17
• IUPAC Name: 2-cyclopropyl-5-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one
• SMILES: Cc1ccc2nc(C3CCCN3C(=O)c3cnc(C4CC4)[nH]c3=O)[nH]c2c1
• InChI: InChI=1S/C20H21N5O2/c1-11-4-7-14-15(9-11)23-18(22-14)16-3-2-8-25(16)20(27)13-10-21-17(12-5-6-12)24-19(13)26/h4,7,9-10,12,16H,2-3,5-6,8H2,1H3,(H,22,23)(H,21,24,26)
• InChIKey: DRENQEYBDOHXAI-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 94.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.42
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one?

The IUPAC name of 2-cyclopropyl-5-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one (CID 56885278) is 2-cyclopropyl-5-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one.

What is the SMILES notation for 2-cyclopropyl-5-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one?

The canonical SMILES for 2-cyclopropyl-5-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one is Cc1ccc2nc(C3CCCN3C(=O)c3cnc(C4CC4)[nH]c3=O)[nH]c2c1.

What is the InChIKey of 2-cyclopropyl-5-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one?

The InChIKey is DRENQEYBDOHXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-11-4-7-14-15(9-11)23-18(22-14)16-3-2-8-25(16)20(27)13-10-21-17(12-5-6-12)24-19(13)26/h4,7,9-10,12,16H,2-3,5-6,8H2,1H3,(H,22,23)(H,21,24,26).

What are the key properties of 2-cyclopropyl-5-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one?

2-cyclopropyl-5-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 363.42 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-5-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 56885278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).