2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(2-methylphenyl)acetamide

C21H18N4O3 — CID 135718295

About 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(2-methylphenyl)acetamide

2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(2-methylphenyl)acetamide (PubChem CID 135718295) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(2-methylphenyl)acetamide
• PubChem CID: 135718295
• Molecular Formula: C21H18N4O3
• Molecular Weight: 374.40 g/mol
• Exact Mass: 374.14
• IUPAC Name: 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(2-methylphenyl)acetamide
• SMILES: Cc1ccccc1NC(=O)Cn1c(O)c(/C=C2\C=Nc3ccccc32)[nH]c1=O
• InChI: InChI=1S/C21H18N4O3/c1-13-6-2-4-8-16(13)23-19(26)12-25-20(27)18(24-21(25)28)10-14-11-22-17-9-5-3-7-15(14)17/h2-11,27H,12H2,1H3,(H,23,26)(H,24,28)/b14-10+
• InChIKey: FTNHGRCGRNYYSG-GXDHUFHOSA-N
• XLogP: 3.09
• TPSA: 99.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.40
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(2-methylphenyl)acetamide?

The IUPAC name of 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(2-methylphenyl)acetamide (CID 135718295) is 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(2-methylphenyl)acetamide.

What is the SMILES notation for 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(2-methylphenyl)acetamide?

The canonical SMILES for 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)Cn1c(O)c(/C=C2\C=Nc3ccccc32)[nH]c1=O.

What is the InChIKey of 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(2-methylphenyl)acetamide?

The InChIKey is FTNHGRCGRNYYSG-GXDHUFHOSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-13-6-2-4-8-16(13)23-19(26)12-25-20(27)18(24-21(25)28)10-14-11-22-17-9-5-3-7-15(14)17/h2-11,27H,12H2,1H3,(H,23,26)(H,24,28)/b14-10+.

What are the key properties of 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(2-methylphenyl)acetamide?

2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 374.40 g/mol, XLogP of 3.09, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 135718295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).