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

C19H18N4O2 — CID 53310269

IUPACN-[(3Z)-3-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methylidene]-1-methyl-2-oxoindol-5-yl]prop-2-ynamide
SMILESC#CC(=O)Nc1ccc2c(c1)/C(=C/c1nc(CC)[nH]c1C)C(=O)N2C
InChIInChI=1S/C19H18N4O2/c1-5-17-20-11(3)15(22-17)10-14-13-9-12(21-18(24)6-2)7-8-16(13)23(4)19(14)25/h2,7-10H,5H2,1,3-4H3,(H,20,22)(H,21,24)/b14-10-
InChIKeyUBEWSNYQULDEAG-UVTDQMKNSA-N
MW334.38 g/mol
LogP2.37
Rot. Bonds3

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

N-[(3Z)-3-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methylidene]-1-methyl-2-oxoindol-5-yl]prop-2-ynamide (PubChem CID 53310269) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[(3Z)-3-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methylidene]-1-methyl-2-oxoindol-5-yl]prop-2-ynamide.

Molecular Properties

Compound NameN-[(3Z)-3-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methylidene]-1-methyl-2-oxoindol-5-yl]prop-2-ynamide
PubChem CID53310269
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-[(3Z)-3-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methylidene]-1-methyl-2-oxoindol-5-yl]prop-2-ynamide
SMILESC#CC(=O)Nc1ccc2c(c1)/C(=C/c1nc(CC)[nH]c1C)C(=O)N2C
InChIInChI=1S/C19H18N4O2/c1-5-17-20-11(3)15(22-17)10-14-13-9-12(21-18(24)6-2)7-8-16(13)23(4)19(14)25/h2,7-10H,5H2,1,3-4H3,(H,20,22)(H,21,24)/b14-10-
InChIKeyUBEWSNYQULDEAG-UVTDQMKNSA-N
XLogP2.37
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Xl-999
CID 10433653
3-(1H-imidazol-5-ylmethylene)-1,3-dihydro-2H-indol-2-one
CID 5714572
2-(1,3-dimethylpyrrolidin-3-yl)-1H-1,3-benzodiazole-4-carboxamide
CID 25190749
3-[(Z)-(2-ethyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one
CID 5714570
(3Z)-3-[(2-phenyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one
CID 5714571
2-[(2R)-2-methyl-5-oxopyrrolidin-2-yl]-1H-1,3-benzodiazole-4-carboxamide
CID 11959733
2-(1,2-dimethylpyrrolidin-2-yl)-1H-1,3-benzodiazole-4-carboxamide
CID 11960530
2-[2-methyl-1-(propan-2-yl)pyrrolidin-2-yl]-1H-1,3-benzodiazole-4-carboxamide
CID 11960533
2-[3-methyl-1-(propan-2-yl)pyrrolidin-3-yl]-1H-1,3-benzodiazole-4-carboxamide
CID 11960635
2-(1-propylpyrrolidin-3-yl)-1H-1,3-benzodiazole-4-carboxamide
CID 18428039
2-[1-(propan-2-yl)pyrrolidin-3-yl]-1H-1,3-benzodiazole-4-carboxamide
CID 18428130
2-[(2R)-1-methylpyrrolidin-2-yl]-1H-1,3-benzodiazole-4-carboxamide
CID 25190727

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methylidene]-1-methyl-2-oxoindol-5-yl]prop-2-ynamide?
The IUPAC name of N-[(3Z)-3-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methylidene]-1-methyl-2-oxoindol-5-yl]prop-2-ynamide (CID 53310269) is N-[(3Z)-3-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methylidene]-1-methyl-2-oxoindol-5-yl]prop-2-ynamide.
What is the SMILES notation for N-[(3Z)-3-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methylidene]-1-methyl-2-oxoindol-5-yl]prop-2-ynamide?
The canonical SMILES for N-[(3Z)-3-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methylidene]-1-methyl-2-oxoindol-5-yl]prop-2-ynamide is C#CC(=O)Nc1ccc2c(c1)/C(=C/c1nc(CC)[nH]c1C)C(=O)N2C.
What is the InChIKey of N-[(3Z)-3-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methylidene]-1-methyl-2-oxoindol-5-yl]prop-2-ynamide?
The InChIKey is UBEWSNYQULDEAG-UVTDQMKNSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-5-17-20-11(3)15(22-17)10-14-13-9-12(21-18(24)6-2)7-8-16(13)23(4)19(14)25/h2,7-10H,5H2,1,3-4H3,(H,20,22)(H,21,24)/b14-10-.
What are the key properties of N-[(3Z)-3-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methylidene]-1-methyl-2-oxoindol-5-yl]prop-2-ynamide?
N-[(3Z)-3-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methylidene]-1-methyl-2-oxoindol-5-yl]prop-2-ynamide has a molecular weight of 334.38 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methylidene]-1-methyl-2-oxoindol-5-yl]prop-2-ynamide is sourced from PubChem (CID 53310269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).