N-[(3Z)-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-2-oxo-1H-indol-5-yl]prop-2-ynamide

C16H12N4O2 — CID 53310268

IUPACN-[(3Z)-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-2-oxo-1H-indol-5-yl]prop-2-ynamide
SMILESC#CC(=O)Nc1ccc2c(c1)/C(=C/c1nc[nH]c1C)C(=O)N2
InChIInChI=1S/C16H12N4O2/c1-3-15(21)19-10-4-5-13-11(6-10)12(16(22)20-13)7-14-9(2)17-8-18-14/h1,4-8H,2H3,(H,17,18)(H,19,21)(H,20,22)/b12-7-
InChIKeyFNJRSYMEJOVUCU-GHXNOFRVSA-N
MW292.30 g/mol
LogP1.78
Rot. Bonds2

About N-[(3Z)-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-2-oxo-1H-indol-5-yl]prop-2-ynamide

N-[(3Z)-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-2-oxo-1H-indol-5-yl]prop-2-ynamide (PubChem CID 53310268) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is N-[(3Z)-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-2-oxo-1H-indol-5-yl]prop-2-ynamide.

Molecular Properties

Compound NameN-[(3Z)-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-2-oxo-1H-indol-5-yl]prop-2-ynamide
PubChem CID53310268
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC NameN-[(3Z)-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-2-oxo-1H-indol-5-yl]prop-2-ynamide
SMILESC#CC(=O)Nc1ccc2c(c1)/C(=C/c1nc[nH]c1C)C(=O)N2
InChIInChI=1S/C16H12N4O2/c1-3-15(21)19-10-4-5-13-11(6-10)12(16(22)20-13)7-14-9(2)17-8-18-14/h1,4-8H,2H3,(H,17,18)(H,19,21)(H,20,22)/b12-7-
InChIKeyFNJRSYMEJOVUCU-GHXNOFRVSA-N
XLogP1.78
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3Z)-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-2-oxo-1H-indol-5-yl]prop-2-ynamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-2-oxo-1H-indol-5-yl]prop-2-ynamide?
The IUPAC name of N-[(3Z)-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-2-oxo-1H-indol-5-yl]prop-2-ynamide (CID 53310268) is N-[(3Z)-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-2-oxo-1H-indol-5-yl]prop-2-ynamide.
What is the SMILES notation for N-[(3Z)-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-2-oxo-1H-indol-5-yl]prop-2-ynamide?
The canonical SMILES for N-[(3Z)-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-2-oxo-1H-indol-5-yl]prop-2-ynamide is C#CC(=O)Nc1ccc2c(c1)/C(=C/c1nc[nH]c1C)C(=O)N2.
What is the InChIKey of N-[(3Z)-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-2-oxo-1H-indol-5-yl]prop-2-ynamide?
The InChIKey is FNJRSYMEJOVUCU-GHXNOFRVSA-N. The full InChI is InChI=1S/C16H12N4O2/c1-3-15(21)19-10-4-5-13-11(6-10)12(16(22)20-13)7-14-9(2)17-8-18-14/h1,4-8H,2H3,(H,17,18)(H,19,21)(H,20,22)/b12-7-.
What are the key properties of N-[(3Z)-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-2-oxo-1H-indol-5-yl]prop-2-ynamide?
N-[(3Z)-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-2-oxo-1H-indol-5-yl]prop-2-ynamide has a molecular weight of 292.30 g/mol, XLogP of 1.78, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-2-oxo-1H-indol-5-yl]prop-2-ynamide is sourced from PubChem (CID 53310268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).