1-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone

C21H25N5O — CID 70782189

About 1-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone

1-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone (PubChem CID 70782189) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 1-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone.

Molecular Properties

• Compound Name: 1-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
• PubChem CID: 70782189
• Molecular Formula: C21H25N5O
• Molecular Weight: 363.47 g/mol
• Exact Mass: 363.21
• IUPAC Name: 1-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
• SMILES: Cc1ccc2nc(C3CCCN3C(=O)CN(C)Cc3cccnc3)[nH]c2c1
• InChI: InChI=1S/C21H25N5O/c1-15-7-8-17-18(11-15)24-21(23-17)19-6-4-10-26(19)20(27)14-25(2)13-16-5-3-9-22-12-16/h3,5,7-9,11-12,19H,4,6,10,13-14H2,1-2H3,(H,23,24)
• InChIKey: OCHDAJHDRJFAJX-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 65.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.47
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone?

The IUPAC name of 1-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone (CID 70782189) is 1-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone.

What is the SMILES notation for 1-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone?

The canonical SMILES for 1-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone is Cc1ccc2nc(C3CCCN3C(=O)CN(C)Cc3cccnc3)[nH]c2c1.

What is the InChIKey of 1-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone?

The InChIKey is OCHDAJHDRJFAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-15-7-8-17-18(11-15)24-21(23-17)19-6-4-10-26(19)20(27)14-25(2)13-16-5-3-9-22-12-16/h3,5,7-9,11-12,19H,4,6,10,13-14H2,1-2H3,(H,23,24).

What are the key properties of 1-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone?

1-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone has a molecular weight of 363.47 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone is sourced from PubChem (CID 70782189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).