2-[3-(azepan-1-yl)propyl]-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide

C26H37N5O2 — CID 22553624

About 2-[3-(azepan-1-yl)propyl]-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide

2-[3-(azepan-1-yl)propyl]-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide (PubChem CID 22553624) has the molecular formula C26H37N5O2 and a molecular weight of 451.62 g/mol. Its IUPAC name is 2-[3-(azepan-1-yl)propyl]-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide.

Molecular Properties

• Compound Name: 2-[3-(azepan-1-yl)propyl]-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
• PubChem CID: 22553624
• Molecular Formula: C26H37N5O2
• Molecular Weight: 451.62 g/mol
• Exact Mass: 451.29
• IUPAC Name: 2-[3-(azepan-1-yl)propyl]-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
• SMILES: CC1(C(=O)NC2CCCC2)Cn2c(nc3ccccc32)C(=O)N1CCCN1CCCCCC1
• InChI: InChI=1S/C26H37N5O2/c1-26(25(33)27-20-11-4-5-12-20)19-30-22-14-7-6-13-21(22)28-23(30)24(32)31(26)18-10-17-29-15-8-2-3-9-16-29/h6-7,13-14,20H,2-5,8-12,15-19H2,1H3,(H,27,33)
• InChIKey: ZSUFYOXGEQFMHG-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 70.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.62
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-(azepan-1-yl)propyl]-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide?

The IUPAC name of 2-[3-(azepan-1-yl)propyl]-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide (CID 22553624) is 2-[3-(azepan-1-yl)propyl]-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide.

What is the SMILES notation for 2-[3-(azepan-1-yl)propyl]-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide?

The canonical SMILES for 2-[3-(azepan-1-yl)propyl]-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide is CC1(C(=O)NC2CCCC2)Cn2c(nc3ccccc32)C(=O)N1CCCN1CCCCCC1.

What is the InChIKey of 2-[3-(azepan-1-yl)propyl]-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide?

The InChIKey is ZSUFYOXGEQFMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O2/c1-26(25(33)27-20-11-4-5-12-20)19-30-22-14-7-6-13-21(22)28-23(30)24(32)31(26)18-10-17-29-15-8-2-3-9-16-29/h6-7,13-14,20H,2-5,8-12,15-19H2,1H3,(H,27,33).

What are the key properties of 2-[3-(azepan-1-yl)propyl]-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide?

2-[3-(azepan-1-yl)propyl]-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide has a molecular weight of 451.62 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(azepan-1-yl)propyl]-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide is sourced from PubChem (CID 22553624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).