3-methyl-N-(2-methylcyclohexyl)-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide

C28H34N4O2 — CID 50757170

About 3-methyl-N-(2-methylcyclohexyl)-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide

3-methyl-N-(2-methylcyclohexyl)-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide (PubChem CID 50757170) has the molecular formula C28H34N4O2 and a molecular weight of 458.61 g/mol. Its IUPAC name is 3-methyl-N-(2-methylcyclohexyl)-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide.

Molecular Properties

• Compound Name: 3-methyl-N-(2-methylcyclohexyl)-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
• PubChem CID: 50757170
• Molecular Formula: C28H34N4O2
• Molecular Weight: 458.61 g/mol
• Exact Mass: 458.27
• IUPAC Name: 3-methyl-N-(2-methylcyclohexyl)-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
• SMILES: CC1CCCCC1NC(=O)C1(C)Cn2c(nc3ccccc32)C(=O)N1CCCc1ccccc1
• InChI: InChI=1S/C28H34N4O2/c1-20-11-6-7-15-22(20)30-27(34)28(2)19-31-24-17-9-8-16-23(24)29-25(31)26(33)32(28)18-10-14-21-12-4-3-5-13-21/h3-5,8-9,12-13,16-17,20,22H,6-7,10-11,14-15,18-19H2,1-2H3,(H,30,34)
• InChIKey: VXUHYLLJBGZDEE-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.61
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-methyl-N-(2-methylcyclohexyl)-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide (CID 50757170) is 3-methyl-N-(2-methylcyclohexyl)-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide.

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

The canonical SMILES for 3-methyl-N-(2-methylcyclohexyl)-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide is CC1CCCCC1NC(=O)C1(C)Cn2c(nc3ccccc32)C(=O)N1CCCc1ccccc1.

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

The InChIKey is VXUHYLLJBGZDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2/c1-20-11-6-7-15-22(20)30-27(34)28(2)19-31-24-17-9-8-16-23(24)29-25(31)26(33)32(28)18-10-14-21-12-4-3-5-13-21/h3-5,8-9,12-13,16-17,20,22H,6-7,10-11,14-15,18-19H2,1-2H3,(H,30,34).

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

3-methyl-N-(2-methylcyclohexyl)-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide has a molecular weight of 458.61 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-(2-methylcyclohexyl)-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide is sourced from PubChem (CID 50757170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).