1-[2-(4-ethoxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanone

C14H16N2O2 — CID 82085429

IUPAC1-[2-(4-ethoxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanone
SMILESCCOc1ccc(-c2nc(C(C)=O)c(C)[nH]2)cc1
InChIInChI=1S/C14H16N2O2/c1-4-18-12-7-5-11(6-8-12)14-15-9(2)13(16-14)10(3)17/h5-8H,4H2,1-3H3,(H,15,16)
InChIKeySMYFZYZNAGORAR-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.99
Rot. Bonds4

About 1-[2-(4-ethoxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanone

1-[2-(4-ethoxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanone (PubChem CID 82085429) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-[2-(4-ethoxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-ethoxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanone
PubChem CID82085429
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-[2-(4-ethoxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanone
SMILESCCOc1ccc(-c2nc(C(C)=O)c(C)[nH]2)cc1
InChIInChI=1S/C14H16N2O2/c1-4-18-12-7-5-11(6-8-12)14-15-9(2)13(16-14)10(3)17/h5-8H,4H2,1-3H3,(H,15,16)
InChIKeySMYFZYZNAGORAR-UHFFFAOYSA-N
XLogP2.99
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(4-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445125
[2-(4-ethoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanamine
CID 82289204
ethyl 2-(4-fluorophenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445087
ethyl 2-[2-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]acetate
CID 123322949
[2-(4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 141409878
2-(4-ethoxyphenyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 66311923
1-[4-(4-ethoxyphenyl)pyrimidin-2-yl]ethanone
CID 116901466
2-(4-ethoxyphenyl)-1H-benzimidazole-4-carboxylic acid
CID 63030910
2-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82796070
2-(4-ethoxyphenyl)-1H-pyrimidin-6-one
CID 43654617
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-ethoxyphenyl)acetamide
CID 40692441
1-[4-(4-ethoxyphenyl)-2-methylphenyl]ethanone
CID 20716256

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanone?
The IUPAC name of 1-[2-(4-ethoxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanone (CID 82085429) is 1-[2-(4-ethoxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(4-ethoxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(4-ethoxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanone is CCOc1ccc(-c2nc(C(C)=O)c(C)[nH]2)cc1.
What is the InChIKey of 1-[2-(4-ethoxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanone?
The InChIKey is SMYFZYZNAGORAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-4-18-12-7-5-11(6-8-12)14-15-9(2)13(16-14)10(3)17/h5-8H,4H2,1-3H3,(H,15,16).
What are the key properties of 1-[2-(4-ethoxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanone?
1-[2-(4-ethoxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanone has a molecular weight of 244.29 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanone is sourced from PubChem (CID 82085429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).