(3Z)-3-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]imino-1H-indol-2-one

C24H15ClN4O2 — CID 135436176

IUPAC(3Z)-3-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]imino-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=N/N1C(=O)/C(=C/c2ccc(Cl)cc2)N=C1c1ccccc1
InChIInChI=1S/C24H15ClN4O2/c25-17-12-10-15(11-13-17)14-20-24(31)29(22(26-20)16-6-2-1-3-7-16)28-21-18-8-4-5-9-19(18)27-23(21)30/h1-14H,(H,27,28,30)/b20-14-
InChIKeyYMVOMHJCLBDHJY-ZHZULCJRSA-N
MW426.86 g/mol
LogP4.33
Rot. Bonds3

About (3Z)-3-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]imino-1H-indol-2-one

(3Z)-3-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]imino-1H-indol-2-one (PubChem CID 135436176) has the molecular formula C24H15ClN4O2 and a molecular weight of 426.86 g/mol. Its IUPAC name is (3Z)-3-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]imino-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]imino-1H-indol-2-one
PubChem CID135436176
Molecular FormulaC24H15ClN4O2
Molecular Weight426.86 g/mol
Exact Mass426.09
IUPAC Name(3Z)-3-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]imino-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=N/N1C(=O)/C(=C/c2ccc(Cl)cc2)N=C1c1ccccc1
InChIInChI=1S/C24H15ClN4O2/c25-17-12-10-15(11-13-17)14-20-24(31)29(22(26-20)16-6-2-1-3-7-16)28-21-18-8-4-5-9-19(18)27-23(21)30/h1-14H,(H,27,28,30)/b20-14-
InChIKeyYMVOMHJCLBDHJY-ZHZULCJRSA-N
XLogP4.33
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.86
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]imino-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]imino-1H-indol-2-one (CID 135436176) is (3Z)-3-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]imino-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]imino-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]imino-1H-indol-2-one is O=C1Nc2ccccc2/C1=N/N1C(=O)/C(=C/c2ccc(Cl)cc2)N=C1c1ccccc1.
What is the InChIKey of (3Z)-3-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]imino-1H-indol-2-one?
The InChIKey is YMVOMHJCLBDHJY-ZHZULCJRSA-N. The full InChI is InChI=1S/C24H15ClN4O2/c25-17-12-10-15(11-13-17)14-20-24(31)29(22(26-20)16-6-2-1-3-7-16)28-21-18-8-4-5-9-19(18)27-23(21)30/h1-14H,(H,27,28,30)/b20-14-.
What are the key properties of (3Z)-3-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]imino-1H-indol-2-one?
(3Z)-3-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]imino-1H-indol-2-one has a molecular weight of 426.86 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]imino-1H-indol-2-one is sourced from PubChem (CID 135436176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).