2-(2,6-dimethoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide

C20H21N3O3 — CID 136514293

IUPAC2-(2,6-dimethoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
SMILESCOc1cccc(OC)c1CC(=O)NCc1ccccc1-n1ccnc1
InChIInChI=1S/C20H21N3O3/c1-25-18-8-5-9-19(26-2)16(18)12-20(24)22-13-15-6-3-4-7-17(15)23-11-10-21-14-23/h3-11,14H,12-13H2,1-2H3,(H,22,24)
InChIKeyDSUKVCVDLDTRSJ-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.75
Rot. Bonds7

About 2-(2,6-dimethoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide

2-(2,6-dimethoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide (PubChem CID 136514293) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-(2,6-dimethoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
PubChem CID136514293
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-(2,6-dimethoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
SMILESCOc1cccc(OC)c1CC(=O)NCc1ccccc1-n1ccnc1
InChIInChI=1S/C20H21N3O3/c1-25-18-8-5-9-19(26-2)16(18)12-20(24)22-13-15-6-3-4-7-17(15)23-11-10-21-14-23/h3-11,14H,12-13H2,1-2H3,(H,22,24)
InChIKeyDSUKVCVDLDTRSJ-UHFFFAOYSA-N
XLogP2.75
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-imidazol-1-ylphenyl)methyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 92671810
1-(4-fluoro-2-methoxyphenyl)-3-[(2-imidazol-1-ylphenyl)methyl]urea
CID 136578950
2-(4-chlorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 92680055
2-(2,5-dimethylphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 46771389
N-[(2-imidazol-1-ylphenyl)methyl]-2-pyridin-4-ylsulfanylacetamide
CID 131924662
N-[(2-imidazol-1-ylphenyl)methyl]thiadiazole-4-carboxamide
CID 84595607
N-[(2-imidazol-1-ylphenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine
CID 47629504
(2R)-2-(2-chlorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]propanamide
CID 92685089
(2S)-N-[(2-imidazol-1-ylphenyl)methyl]-2-(2-methylphenoxy)butanamide
CID 28574318
methyl N-[4-[[(2-imidazol-1-ylphenyl)methylcarbamoylamino]methyl]phenyl]carbamate
CID 86838396
1-[(2-imidazol-1-ylphenyl)methyl]-3-(5-methoxy-2-methylphenyl)urea
CID 71970578
N-ethyl-2-[4-[[(2-imidazol-1-ylphenyl)methylamino]methyl]-2-methoxyphenoxy]acetamide
CID 47629508

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide?
The IUPAC name of 2-(2,6-dimethoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide (CID 136514293) is 2-(2,6-dimethoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2,6-dimethoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-(2,6-dimethoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide is COc1cccc(OC)c1CC(=O)NCc1ccccc1-n1ccnc1.
What is the InChIKey of 2-(2,6-dimethoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide?
The InChIKey is DSUKVCVDLDTRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-25-18-8-5-9-19(26-2)16(18)12-20(24)22-13-15-6-3-4-7-17(15)23-11-10-21-14-23/h3-11,14H,12-13H2,1-2H3,(H,22,24).
What are the key properties of 2-(2,6-dimethoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide?
2-(2,6-dimethoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide has a molecular weight of 351.41 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide is sourced from PubChem (CID 136514293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).