N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-2-methoxy-N-propan-2-ylacetamide

C17H22ClN3O2 — CID 42818844

IUPACN-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-2-methoxy-N-propan-2-ylacetamide
SMILESCOCC(=O)N(Cc1nccn1Cc1ccccc1Cl)C(C)C
InChIInChI=1S/C17H22ClN3O2/c1-13(2)21(17(22)12-23-3)11-16-19-8-9-20(16)10-14-6-4-5-7-15(14)18/h4-9,13H,10-12H2,1-3H3
InChIKeyKEOHYJJFRFHVBJ-UHFFFAOYSA-N
MW335.84 g/mol
LogP2.97
Rot. Bonds7

About N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-2-methoxy-N-propan-2-ylacetamide

N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-2-methoxy-N-propan-2-ylacetamide (PubChem CID 42818844) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-2-methoxy-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-2-methoxy-N-propan-2-ylacetamide
PubChem CID42818844
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC NameN-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-2-methoxy-N-propan-2-ylacetamide
SMILESCOCC(=O)N(Cc1nccn1Cc1ccccc1Cl)C(C)C
InChIInChI=1S/C17H22ClN3O2/c1-13(2)21(17(22)12-23-3)11-16-19-8-9-20(16)10-14-6-4-5-7-15(14)18/h4-9,13H,10-12H2,1-3H3
InChIKeyKEOHYJJFRFHVBJ-UHFFFAOYSA-N
XLogP2.97
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-2-methoxy-N-propan-2-ylacetamide 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-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]acetamide;ethane
CID 144709386
N-[(1-benzylpyrrol-2-yl)methyl]-2-methoxy-N-propan-2-ylacetamide
CID 810212
N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 42818630
1-[(2-chlorophenyl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yltriazole-4-carboxamide
CID 42528995
3-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylbenzamide
CID 46139787
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylacetamide
CID 42819003
N-(2-methoxyethyl)-3-methyl-N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]butanamide
CID 42819437
N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 42818521
N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]acetamide
CID 71931046
N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N,2-dimethylpropanamide
CID 24712684
N-(2-methoxyethyl)-N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]propanamide
CID 42819438
1-[(2-chlorophenyl)methyl]-2-methylsulfonylimidazole
CID 94696998

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-2-methoxy-N-propan-2-ylacetamide?
The IUPAC name of N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-2-methoxy-N-propan-2-ylacetamide (CID 42818844) is N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-2-methoxy-N-propan-2-ylacetamide.
What is the SMILES notation for N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-2-methoxy-N-propan-2-ylacetamide?
The canonical SMILES for N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-2-methoxy-N-propan-2-ylacetamide is COCC(=O)N(Cc1nccn1Cc1ccccc1Cl)C(C)C.
What is the InChIKey of N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-2-methoxy-N-propan-2-ylacetamide?
The InChIKey is KEOHYJJFRFHVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2/c1-13(2)21(17(22)12-23-3)11-16-19-8-9-20(16)10-14-6-4-5-7-15(14)18/h4-9,13H,10-12H2,1-3H3.
What are the key properties of N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-2-methoxy-N-propan-2-ylacetamide?
N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-2-methoxy-N-propan-2-ylacetamide has a molecular weight of 335.84 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-2-methoxy-N-propan-2-ylacetamide is sourced from PubChem (CID 42818844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).