2-(2-formylimidazol-1-yl)-N-(3-methoxyphenyl)acetamide

C13H13N3O3 — CID 62223154

IUPAC2-(2-formylimidazol-1-yl)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cn2ccnc2C=O)c1
InChIInChI=1S/C13H13N3O3/c1-19-11-4-2-3-10(7-11)15-13(18)8-16-6-5-14-12(16)9-17/h2-7,9H,8H2,1H3,(H,15,18)
InChIKeyPMVNKQYCULVIMB-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.34
Rot. Bonds5

About 2-(2-formylimidazol-1-yl)-N-(3-methoxyphenyl)acetamide

2-(2-formylimidazol-1-yl)-N-(3-methoxyphenyl)acetamide (PubChem CID 62223154) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-(2-formylimidazol-1-yl)-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-formylimidazol-1-yl)-N-(3-methoxyphenyl)acetamide
PubChem CID62223154
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Name2-(2-formylimidazol-1-yl)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cn2ccnc2C=O)c1
InChIInChI=1S/C13H13N3O3/c1-19-11-4-2-3-10(7-11)15-13(18)8-16-6-5-14-12(16)9-17/h2-7,9H,8H2,1H3,(H,15,18)
InChIKeyPMVNKQYCULVIMB-UHFFFAOYSA-N
XLogP1.34
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-formylimidazol-1-yl)-N-(3-methoxyphenyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-fluorophenyl)-2-(2-formylimidazol-1-yl)acetamide
CID 62222625
2-(4-formyltriazol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 66214781
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-methylimidazol-1-yl)acetamide
CID 37225028
2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 21383169
2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 60911842
2-(2-formylpiperidin-1-yl)-N-(3-methoxyphenyl)acetamide
CID 62654790
2-[3-(aminomethyl)-2-oxo-1-pyridinyl]-N-(3-methoxyphenyl)acetamide
CID 107017585
N-(3,5-dimethoxyphenyl)-2-(2-formylpyrrol-1-yl)acetamide
CID 71821989
N-(4-methoxyphenyl)-2-(2-methylimidazol-1-yl)acetamide
CID 55028374
2-(azocan-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583685
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733

Frequently Asked Questions

What is the IUPAC name of 2-(2-formylimidazol-1-yl)-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-(2-formylimidazol-1-yl)-N-(3-methoxyphenyl)acetamide (CID 62223154) is 2-(2-formylimidazol-1-yl)-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-formylimidazol-1-yl)-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-(2-formylimidazol-1-yl)-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)Cn2ccnc2C=O)c1.
What is the InChIKey of 2-(2-formylimidazol-1-yl)-N-(3-methoxyphenyl)acetamide?
The InChIKey is PMVNKQYCULVIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-19-11-4-2-3-10(7-11)15-13(18)8-16-6-5-14-12(16)9-17/h2-7,9H,8H2,1H3,(H,15,18).
What are the key properties of 2-(2-formylimidazol-1-yl)-N-(3-methoxyphenyl)acetamide?
2-(2-formylimidazol-1-yl)-N-(3-methoxyphenyl)acetamide has a molecular weight of 259.27 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formylimidazol-1-yl)-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 62223154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).