3-methyl-N-[(E)-(1-methylimidazol-2-yl)methylideneamino]benzamide

C13H14N4O — CID 162738420

IUPAC3-methyl-N-[(E)-(1-methylimidazol-2-yl)methylideneamino]benzamide
SMILESCc1cccc(C(=O)N/N=C/c2nccn2C)c1
InChIInChI=1S/C13H14N4O/c1-10-4-3-5-11(8-10)13(18)16-15-9-12-14-6-7-17(12)2/h3-9H,1-2H3,(H,16,18)/b15-9+
InChIKeyLPRYKCCAUCSJFQ-OQLLNIDSSA-N
MW242.28 g/mol
LogP1.49
Rot. Bonds3

About 3-methyl-N-[(E)-(1-methylimidazol-2-yl)methylideneamino]benzamide

3-methyl-N-[(E)-(1-methylimidazol-2-yl)methylideneamino]benzamide (PubChem CID 162738420) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 3-methyl-N-[(E)-(1-methylimidazol-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-methyl-N-[(E)-(1-methylimidazol-2-yl)methylideneamino]benzamide
PubChem CID162738420
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name3-methyl-N-[(E)-(1-methylimidazol-2-yl)methylideneamino]benzamide
SMILESCc1cccc(C(=O)N/N=C/c2nccn2C)c1
InChIInChI=1S/C13H14N4O/c1-10-4-3-5-11(8-10)13(18)16-15-9-12-14-6-7-17(12)2/h3-9H,1-2H3,(H,16,18)/b15-9+
InChIKeyLPRYKCCAUCSJFQ-OQLLNIDSSA-N
XLogP1.49
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-methyl-N-[(E)-(1-methylimidazol-2-yl)methylideneamino]benzamide 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 3-methyl-N-[(E)-(1-methylimidazol-2-yl)methylideneamino]benzamide?
The IUPAC name of 3-methyl-N-[(E)-(1-methylimidazol-2-yl)methylideneamino]benzamide (CID 162738420) is 3-methyl-N-[(E)-(1-methylimidazol-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 3-methyl-N-[(E)-(1-methylimidazol-2-yl)methylideneamino]benzamide?
The canonical SMILES for 3-methyl-N-[(E)-(1-methylimidazol-2-yl)methylideneamino]benzamide is Cc1cccc(C(=O)N/N=C/c2nccn2C)c1.
What is the InChIKey of 3-methyl-N-[(E)-(1-methylimidazol-2-yl)methylideneamino]benzamide?
The InChIKey is LPRYKCCAUCSJFQ-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H14N4O/c1-10-4-3-5-11(8-10)13(18)16-15-9-12-14-6-7-17(12)2/h3-9H,1-2H3,(H,16,18)/b15-9+.
What are the key properties of 3-methyl-N-[(E)-(1-methylimidazol-2-yl)methylideneamino]benzamide?
3-methyl-N-[(E)-(1-methylimidazol-2-yl)methylideneamino]benzamide has a molecular weight of 242.28 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(E)-(1-methylimidazol-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 162738420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).