3-[4-(5-hydroxy-2-oxo-1H-imidazol-3-yl)phenoxy]-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide

C27H28N6O5 — CID 123634899

About 3-[4-(5-hydroxy-2-oxo-1H-imidazol-3-yl)phenoxy]-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide

3-[4-(5-hydroxy-2-oxo-1H-imidazol-3-yl)phenoxy]-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 123634899) has the molecular formula C27H28N6O5 and a molecular weight of 516.56 g/mol. Its IUPAC name is 3-[4-(5-hydroxy-2-oxo-1H-imidazol-3-yl)phenoxy]-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 3-[4-(5-hydroxy-2-oxo-1H-imidazol-3-yl)phenoxy]-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
• PubChem CID: 123634899
• Molecular Formula: C27H28N6O5
• Molecular Weight: 516.56 g/mol
• Exact Mass: 516.21
• IUPAC Name: 3-[4-(5-hydroxy-2-oxo-1H-imidazol-3-yl)phenoxy]-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
• SMILES: Cc1[nH]cnc1CCNC(=O)c1ccc(CN2CCCC2=O)c(Oc2ccc(-n3cc(O)[nH]c3=O)cc2)c1
• InChI: InChI=1S/C27H28N6O5/c1-17-22(30-16-29-17)10-11-28-26(36)18-4-5-19(14-32-12-2-3-25(32)35)23(13-18)38-21-8-6-20(7-9-21)33-15-24(34)31-27(33)37/h4-9,13,15-16,34H,2-3,10-12,14H2,1H3,(H,28,36)(H,29,30)(H,31,37)
• InChIKey: CKCBUDYSAVWSFO-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 145.34 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.56
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-hydroxy-2-oxo-1H-imidazol-3-yl)phenoxy]-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?

The IUPAC name of 3-[4-(5-hydroxy-2-oxo-1H-imidazol-3-yl)phenoxy]-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 123634899) is 3-[4-(5-hydroxy-2-oxo-1H-imidazol-3-yl)phenoxy]-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

What is the SMILES notation for 3-[4-(5-hydroxy-2-oxo-1H-imidazol-3-yl)phenoxy]-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?

The canonical SMILES for 3-[4-(5-hydroxy-2-oxo-1H-imidazol-3-yl)phenoxy]-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is Cc1[nH]cnc1CCNC(=O)c1ccc(CN2CCCC2=O)c(Oc2ccc(-n3cc(O)[nH]c3=O)cc2)c1.

What is the InChIKey of 3-[4-(5-hydroxy-2-oxo-1H-imidazol-3-yl)phenoxy]-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?

The InChIKey is CKCBUDYSAVWSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O5/c1-17-22(30-16-29-17)10-11-28-26(36)18-4-5-19(14-32-12-2-3-25(32)35)23(13-18)38-21-8-6-20(7-9-21)33-15-24(34)31-27(33)37/h4-9,13,15-16,34H,2-3,10-12,14H2,1H3,(H,28,36)(H,29,30)(H,31,37).

What are the key properties of 3-[4-(5-hydroxy-2-oxo-1H-imidazol-3-yl)phenoxy]-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?

3-[4-(5-hydroxy-2-oxo-1H-imidazol-3-yl)phenoxy]-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 516.56 g/mol, XLogP of 2.79, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(5-hydroxy-2-oxo-1H-imidazol-3-yl)phenoxy]-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 123634899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).