2-methoxyethyl 5-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

C23H28N4O5 — CID 55718606

About 2-methoxyethyl 5-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

2-methoxyethyl 5-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (PubChem CID 55718606) has the molecular formula C23H28N4O5 and a molecular weight of 440.50 g/mol. Its IUPAC name is 2-methoxyethyl 5-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.

Molecular Properties

• Compound Name: 2-methoxyethyl 5-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
• PubChem CID: 55718606
• Molecular Formula: C23H28N4O5
• Molecular Weight: 440.50 g/mol
• Exact Mass: 440.21
• IUPAC Name: 2-methoxyethyl 5-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
• SMILES: COCCOC(=O)c1c(C)[nH]c(C(=O)NC(c2ccccc2OC)c2nccn2C)c1C
• InChI: InChI=1S/C23H28N4O5/c1-14-18(23(29)32-13-12-30-4)15(2)25-19(14)22(28)26-20(21-24-10-11-27(21)3)16-8-6-7-9-17(16)31-5/h6-11,20,25H,12-13H2,1-5H3,(H,26,28)
• InChIKey: KDMDTYPWNQYJOO-UHFFFAOYSA-N
• XLogP: 2.70
• TPSA: 107.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.50
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 5-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?

The IUPAC name of 2-methoxyethyl 5-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (CID 55718606) is 2-methoxyethyl 5-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.

What is the SMILES notation for 2-methoxyethyl 5-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?

The canonical SMILES for 2-methoxyethyl 5-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is COCCOC(=O)c1c(C)[nH]c(C(=O)NC(c2ccccc2OC)c2nccn2C)c1C.

What is the InChIKey of 2-methoxyethyl 5-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?

The InChIKey is KDMDTYPWNQYJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5/c1-14-18(23(29)32-13-12-30-4)15(2)25-19(14)22(28)26-20(21-24-10-11-27(21)3)16-8-6-7-9-17(16)31-5/h6-11,20,25H,12-13H2,1-5H3,(H,26,28).

What are the key properties of 2-methoxyethyl 5-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?

2-methoxyethyl 5-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate has a molecular weight of 440.50 g/mol, XLogP of 2.70, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxyethyl 5-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 55718606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).