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'}

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Related Compounds

1-Methyl-5-phenyl-imidazol-2-amine
CID 1132927
1-Phenylcarbamoylmethyl-3-p-tolyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
CID 16682349
3H-Imidazole-4-carboxylic acid, 3-methyl-5-[(pyridin-4-ylmethyl)amino]-, (4-tert-butylphenyl)amide
CID 6425419
1-[(1-Methylbenzimidazol-2-yl)methyl]-3-(4-methylphenyl)urea
CID 4798604
4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-ylamino)-N,N-dimethylbenzamide
CID 11537871
3-(3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl)-N-butylpropanamide
CID 20867282
N-cyclohexyl-N-methyl-4-(pyridin-3-yl)-1H-imidazole-1-carboxamide
CID 66554294
N-(3,4-Dimethyl-phenyl)-2-imidazol-1-yl-acetamide
CID 686405
N-(4-ethylphenyl)-2-(2-methyl-4-nitro-1H-imidazol-1-yl)acetamide
CID 780277
N-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 843189
N-(4-ethylphenyl)-2-{4-nitro-1H-imidazol-1-yl}acetamide
CID 1099820
2-ethyl-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)butanamide
CID 16009114

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).