N-[(5E)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-3-methyl-4H-imidazol-2-yl]acetamide

C13H14N4O4 — CID 5467667

IUPACN-[(5E)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-3-methyl-4H-imidazol-2-yl]acetamide
SMILESCC(=O)NC1=N/C(=C/c2cc([N+](=O)[O-])ccc2O)CN1C
InChIInChI=1S/C13H14N4O4/c1-8(18)14-13-15-10(7-16(13)2)5-9-6-11(17(20)21)3-4-12(9)19/h3-6,19H,7H2,1-2H3,(H,14,15,18)/b10-5+
InChIKeyOVTDIDJXXXQFFO-BJMVGYQFSA-N
MW290.28 g/mol
LogP1.08
Rot. Bonds2

About N-[(5E)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-3-methyl-4H-imidazol-2-yl]acetamide

N-[(5E)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-3-methyl-4H-imidazol-2-yl]acetamide (PubChem CID 5467667) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is N-[(5E)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-3-methyl-4H-imidazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[(5E)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-3-methyl-4H-imidazol-2-yl]acetamide
PubChem CID5467667
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC NameN-[(5E)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-3-methyl-4H-imidazol-2-yl]acetamide
SMILESCC(=O)NC1=N/C(=C/c2cc([N+](=O)[O-])ccc2O)CN1C
InChIInChI=1S/C13H14N4O4/c1-8(18)14-13-15-10(7-16(13)2)5-9-6-11(17(20)21)3-4-12(9)19/h3-6,19H,7H2,1-2H3,(H,14,15,18)/b10-5+
InChIKeyOVTDIDJXXXQFFO-BJMVGYQFSA-N
XLogP1.08
TPSA108.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5E)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-3-methyl-4H-imidazol-2-yl]acetamide?
The IUPAC name of N-[(5E)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-3-methyl-4H-imidazol-2-yl]acetamide (CID 5467667) is N-[(5E)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-3-methyl-4H-imidazol-2-yl]acetamide.
What is the SMILES notation for N-[(5E)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-3-methyl-4H-imidazol-2-yl]acetamide?
The canonical SMILES for N-[(5E)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-3-methyl-4H-imidazol-2-yl]acetamide is CC(=O)NC1=N/C(=C/c2cc([N+](=O)[O-])ccc2O)CN1C.
What is the InChIKey of N-[(5E)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-3-methyl-4H-imidazol-2-yl]acetamide?
The InChIKey is OVTDIDJXXXQFFO-BJMVGYQFSA-N. The full InChI is InChI=1S/C13H14N4O4/c1-8(18)14-13-15-10(7-16(13)2)5-9-6-11(17(20)21)3-4-12(9)19/h3-6,19H,7H2,1-2H3,(H,14,15,18)/b10-5+.
What are the key properties of N-[(5E)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-3-methyl-4H-imidazol-2-yl]acetamide?
N-[(5E)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-3-methyl-4H-imidazol-2-yl]acetamide has a molecular weight of 290.28 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5E)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-3-methyl-4H-imidazol-2-yl]acetamide is sourced from PubChem (CID 5467667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).