2-[(4Z)-4-[(3-chlorophenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanyl-N-(1H-indol-6-yl)acetamide

C26H19ClN4O2S — CID 19058774

IUPAC2-[(4Z)-4-[(3-chlorophenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanyl-N-(1H-indol-6-yl)acetamide
SMILESO=C(CSC1=N/C(=C\c2cccc(Cl)c2)C(=O)N1c1ccccc1)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C26H19ClN4O2S/c27-19-6-4-5-17(13-19)14-23-25(33)31(21-7-2-1-3-8-21)26(30-23)34-16-24(32)29-20-10-9-18-11-12-28-22(18)15-20/h1-15,28H,16H2,(H,29,32)/b23-14-
InChIKeyFCPAOYGYBUPLKY-UCQKPKSFSA-N
MW486.98 g/mol
LogP5.94
Rot. Bonds5

About 2-[(4Z)-4-[(3-chlorophenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanyl-N-(1H-indol-6-yl)acetamide

2-[(4Z)-4-[(3-chlorophenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanyl-N-(1H-indol-6-yl)acetamide (PubChem CID 19058774) has the molecular formula C26H19ClN4O2S and a molecular weight of 486.98 g/mol. Its IUPAC name is 2-[(4Z)-4-[(3-chlorophenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanyl-N-(1H-indol-6-yl)acetamide.

Molecular Properties

Compound Name2-[(4Z)-4-[(3-chlorophenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanyl-N-(1H-indol-6-yl)acetamide
PubChem CID19058774
Molecular FormulaC26H19ClN4O2S
Molecular Weight486.98 g/mol
Exact Mass486.09
IUPAC Name2-[(4Z)-4-[(3-chlorophenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanyl-N-(1H-indol-6-yl)acetamide
SMILESO=C(CSC1=N/C(=C\c2cccc(Cl)c2)C(=O)N1c1ccccc1)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C26H19ClN4O2S/c27-19-6-4-5-17(13-19)14-23-25(33)31(21-7-2-1-3-8-21)26(30-23)34-16-24(32)29-20-10-9-18-11-12-28-22(18)15-20/h1-15,28H,16H2,(H,29,32)/b23-14-
InChIKeyFCPAOYGYBUPLKY-UCQKPKSFSA-N
XLogP5.94
TPSA77.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.98
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4Z)-4-[(3-chlorophenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanyl-N-(1H-indol-6-yl)acetamide?
The IUPAC name of 2-[(4Z)-4-[(3-chlorophenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanyl-N-(1H-indol-6-yl)acetamide (CID 19058774) is 2-[(4Z)-4-[(3-chlorophenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanyl-N-(1H-indol-6-yl)acetamide.
What is the SMILES notation for 2-[(4Z)-4-[(3-chlorophenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanyl-N-(1H-indol-6-yl)acetamide?
The canonical SMILES for 2-[(4Z)-4-[(3-chlorophenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanyl-N-(1H-indol-6-yl)acetamide is O=C(CSC1=N/C(=C\c2cccc(Cl)c2)C(=O)N1c1ccccc1)Nc1ccc2cc[nH]c2c1.
What is the InChIKey of 2-[(4Z)-4-[(3-chlorophenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanyl-N-(1H-indol-6-yl)acetamide?
The InChIKey is FCPAOYGYBUPLKY-UCQKPKSFSA-N. The full InChI is InChI=1S/C26H19ClN4O2S/c27-19-6-4-5-17(13-19)14-23-25(33)31(21-7-2-1-3-8-21)26(30-23)34-16-24(32)29-20-10-9-18-11-12-28-22(18)15-20/h1-15,28H,16H2,(H,29,32)/b23-14-.
What are the key properties of 2-[(4Z)-4-[(3-chlorophenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanyl-N-(1H-indol-6-yl)acetamide?
2-[(4Z)-4-[(3-chlorophenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanyl-N-(1H-indol-6-yl)acetamide has a molecular weight of 486.98 g/mol, XLogP of 5.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4Z)-4-[(3-chlorophenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanyl-N-(1H-indol-6-yl)acetamide is sourced from PubChem (CID 19058774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).