2-[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]-N-methylacetamide

C14H16ClN3O — CID 82558055

IUPAC2-[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1ccnc1CCc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN3O/c1-16-14(19)10-18-9-8-17-13(18)7-4-11-2-5-12(15)6-3-11/h2-3,5-6,8-9H,4,7,10H2,1H3,(H,16,19)
InChIKeyGMZVIMQUUKMYTA-UHFFFAOYSA-N
MW277.76 g/mol
LogP2.07
Rot. Bonds5

About 2-[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]-N-methylacetamide

2-[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]-N-methylacetamide (PubChem CID 82558055) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 2-[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]-N-methylacetamide
PubChem CID82558055
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name2-[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1ccnc1CCc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN3O/c1-16-14(19)10-18-9-8-17-13(18)7-4-11-2-5-12(15)6-3-11/h2-3,5-6,8-9H,4,7,10H2,1H3,(H,16,19)
InChIKeyGMZVIMQUUKMYTA-UHFFFAOYSA-N
XLogP2.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]-N-methylacetamide 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

2-[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]-N-methylethanamine
CID 82558058
2-[2-[[4-(dimethylamino)phenyl]methyl]imidazol-1-yl]-N-methylacetamide
CID 82558377
methyl 2-[2-(2-phenylethyl)imidazol-1-yl]acetate
CID 82561044
methyl 3-chloro-2-[2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]ethyl]-4,6-dihydroxybenzoate
CID 127048836
1-[2-(4-chlorophenyl)ethyl]imidazole-2-carboxylic acid
CID 69295233
N-methyl-2-[2-[(2-methylsulfonylphenyl)methyl]imidazol-1-yl]acetamide
CID 82558127
2-(4-chlorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 110476101
2-(2-formylimidazol-1-yl)-N-methylacetamide
CID 62222272
2-(4-chlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine
CID 55064912
methyl 2-[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]acetate
CID 82561099
N-(4-propan-2-ylphenyl)-2-(2-propylimidazol-1-yl)acetamide
CID 71846694
2-[[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]methyl]benzonitrile
CID 82561434

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]-N-methylacetamide (CID 82558055) is 2-[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]-N-methylacetamide is CNC(=O)Cn1ccnc1CCc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]-N-methylacetamide?
The InChIKey is GMZVIMQUUKMYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-16-14(19)10-18-9-8-17-13(18)7-4-11-2-5-12(15)6-3-11/h2-3,5-6,8-9H,4,7,10H2,1H3,(H,16,19).
What are the key properties of 2-[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]-N-methylacetamide?
2-[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]-N-methylacetamide has a molecular weight of 277.76 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 82558055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).