(4Z)-2-anilino-4-[(1-methylindol-5-yl)methylidene]-1H-imidazol-5-one

C19H16N4O — CID 167321685

IUPAC(4Z)-2-anilino-4-[(1-methylindol-5-yl)methylidene]-1H-imidazol-5-one
SMILESCn1ccc2cc(/C=C3\N=C(Nc4ccccc4)NC3=O)ccc21
InChIInChI=1S/C19H16N4O/c1-23-10-9-14-11-13(7-8-17(14)23)12-16-18(24)22-19(21-16)20-15-5-3-2-4-6-15/h2-12H,1H3,(H2,20,21,22,24)/b16-12-
InChIKeyRMDZJOQXKLTPBR-VBKFSLOCSA-N
MW316.36 g/mol
LogP3.12
Rot. Bonds2

About (4Z)-2-anilino-4-[(1-methylindol-5-yl)methylidene]-1H-imidazol-5-one

(4Z)-2-anilino-4-[(1-methylindol-5-yl)methylidene]-1H-imidazol-5-one (PubChem CID 167321685) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is (4Z)-2-anilino-4-[(1-methylindol-5-yl)methylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-2-anilino-4-[(1-methylindol-5-yl)methylidene]-1H-imidazol-5-one
PubChem CID167321685
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name(4Z)-2-anilino-4-[(1-methylindol-5-yl)methylidene]-1H-imidazol-5-one
SMILESCn1ccc2cc(/C=C3\N=C(Nc4ccccc4)NC3=O)ccc21
InChIInChI=1S/C19H16N4O/c1-23-10-9-14-11-13(7-8-17(14)23)12-16-18(24)22-19(21-16)20-15-5-3-2-4-6-15/h2-12H,1H3,(H2,20,21,22,24)/b16-12-
InChIKeyRMDZJOQXKLTPBR-VBKFSLOCSA-N
XLogP3.12
TPSA58.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.12
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 (4Z)-2-anilino-4-[(1-methylindol-5-yl)methylidene]-1H-imidazol-5-one?
The IUPAC name of (4Z)-2-anilino-4-[(1-methylindol-5-yl)methylidene]-1H-imidazol-5-one (CID 167321685) is (4Z)-2-anilino-4-[(1-methylindol-5-yl)methylidene]-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-2-anilino-4-[(1-methylindol-5-yl)methylidene]-1H-imidazol-5-one?
The canonical SMILES for (4Z)-2-anilino-4-[(1-methylindol-5-yl)methylidene]-1H-imidazol-5-one is Cn1ccc2cc(/C=C3\N=C(Nc4ccccc4)NC3=O)ccc21.
What is the InChIKey of (4Z)-2-anilino-4-[(1-methylindol-5-yl)methylidene]-1H-imidazol-5-one?
The InChIKey is RMDZJOQXKLTPBR-VBKFSLOCSA-N. The full InChI is InChI=1S/C19H16N4O/c1-23-10-9-14-11-13(7-8-17(14)23)12-16-18(24)22-19(21-16)20-15-5-3-2-4-6-15/h2-12H,1H3,(H2,20,21,22,24)/b16-12-.
What are the key properties of (4Z)-2-anilino-4-[(1-methylindol-5-yl)methylidene]-1H-imidazol-5-one?
(4Z)-2-anilino-4-[(1-methylindol-5-yl)methylidene]-1H-imidazol-5-one has a molecular weight of 316.36 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-anilino-4-[(1-methylindol-5-yl)methylidene]-1H-imidazol-5-one is sourced from PubChem (CID 167321685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).