2-[2-(4-aminophenyl)-4-methylimidazol-1-yl]-N,N-diethylacetamide

C16H22N4O — CID 83971194

IUPAC2-[2-(4-aminophenyl)-4-methylimidazol-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1cc(C)nc1-c1ccc(N)cc1
InChIInChI=1S/C16H22N4O/c1-4-19(5-2)15(21)11-20-10-12(3)18-16(20)13-6-8-14(17)9-7-13/h6-10H,4-5,11,17H2,1-3H3
InChIKeyLHDLCWMKFBXONA-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.31
Rot. Bonds5

About 2-[2-(4-aminophenyl)-4-methylimidazol-1-yl]-N,N-diethylacetamide

2-[2-(4-aminophenyl)-4-methylimidazol-1-yl]-N,N-diethylacetamide (PubChem CID 83971194) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[2-(4-aminophenyl)-4-methylimidazol-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[2-(4-aminophenyl)-4-methylimidazol-1-yl]-N,N-diethylacetamide
PubChem CID83971194
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[2-(4-aminophenyl)-4-methylimidazol-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1cc(C)nc1-c1ccc(N)cc1
InChIInChI=1S/C16H22N4O/c1-4-19(5-2)15(21)11-20-10-12(3)18-16(20)13-6-8-14(17)9-7-13/h6-10H,4-5,11,17H2,1-3H3
InChIKeyLHDLCWMKFBXONA-UHFFFAOYSA-N
XLogP2.31
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(4-aminophenyl)-4-methylimidazol-1-yl]-N,N-diethylacetamide 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 2-[2-(4-aminophenyl)-4-methylimidazol-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[2-(4-aminophenyl)-4-methylimidazol-1-yl]-N,N-diethylacetamide (CID 83971194) is 2-[2-(4-aminophenyl)-4-methylimidazol-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[2-(4-aminophenyl)-4-methylimidazol-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[2-(4-aminophenyl)-4-methylimidazol-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)Cn1cc(C)nc1-c1ccc(N)cc1.
What is the InChIKey of 2-[2-(4-aminophenyl)-4-methylimidazol-1-yl]-N,N-diethylacetamide?
The InChIKey is LHDLCWMKFBXONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-19(5-2)15(21)11-20-10-12(3)18-16(20)13-6-8-14(17)9-7-13/h6-10H,4-5,11,17H2,1-3H3.
What are the key properties of 2-[2-(4-aminophenyl)-4-methylimidazol-1-yl]-N,N-diethylacetamide?
2-[2-(4-aminophenyl)-4-methylimidazol-1-yl]-N,N-diethylacetamide has a molecular weight of 286.38 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-aminophenyl)-4-methylimidazol-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 83971194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).