N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-naphthalen-1-ylacetamide

C25H25N3O3 — CID 55457067

IUPACN-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-naphthalen-1-ylacetamide
SMILESCOc1cc(OC)cc(C(NC(=O)Cc2cccc3ccccc23)c2nccn2C)c1
InChIInChI=1S/C25H25N3O3/c1-28-12-11-26-25(28)24(19-13-20(30-2)16-21(14-19)31-3)27-23(29)15-18-9-6-8-17-7-4-5-10-22(17)18/h4-14,16,24H,15H2,1-3H3,(H,27,29)
InChIKeyVHKNYTXWXXGQSF-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.04
Rot. Bonds7

About N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-naphthalen-1-ylacetamide

N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-naphthalen-1-ylacetamide (PubChem CID 55457067) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-naphthalen-1-ylacetamide
PubChem CID55457067
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC NameN-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-naphthalen-1-ylacetamide
SMILESCOc1cc(OC)cc(C(NC(=O)Cc2cccc3ccccc23)c2nccn2C)c1
InChIInChI=1S/C25H25N3O3/c1-28-12-11-26-25(28)24(19-13-20(30-2)16-21(14-19)31-3)27-23(29)15-18-9-6-8-17-7-4-5-10-22(17)18/h4-14,16,24H,15H2,1-3H3,(H,27,29)
InChIKeyVHKNYTXWXXGQSF-UHFFFAOYSA-N
XLogP4.04
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-naphthalen-1-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-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-naphthalen-1-yloxypropanamide
CID 42951989
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)acetamide
CID 47015011
3-(2-bromophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 75897663
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 47015012
2-(4-chlorophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 18103829
N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylacetamide
CID 40720270
2-(4-bromophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 55457678
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methylsulfanylacetamide
CID 51273517
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 51273501
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(5-methoxyindol-1-yl)acetamide
CID 55718660
1-[(3,5-dimethoxyphenyl)methyl]-3-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 55910496
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-methylindole-2-carboxamide
CID 55871854

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-naphthalen-1-ylacetamide (CID 55457067) is N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-naphthalen-1-ylacetamide is COc1cc(OC)cc(C(NC(=O)Cc2cccc3ccccc23)c2nccn2C)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-naphthalen-1-ylacetamide?
The InChIKey is VHKNYTXWXXGQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-28-12-11-26-25(28)24(19-13-20(30-2)16-21(14-19)31-3)27-23(29)15-18-9-6-8-17-7-4-5-10-22(17)18/h4-14,16,24H,15H2,1-3H3,(H,27,29).
What are the key properties of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-naphthalen-1-ylacetamide?
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-naphthalen-1-ylacetamide has a molecular weight of 415.49 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 55457067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).