1-[5-(5-ethyl-2-methoxyphenyl)-1H-imidazol-2-yl]propan-2-one

C15H18N2O2 — CID 116880798

IUPAC1-[5-(5-ethyl-2-methoxyphenyl)-1H-imidazol-2-yl]propan-2-one
SMILESCCc1ccc(OC)c(-c2cnc(CC(C)=O)[nH]2)c1
InChIInChI=1S/C15H18N2O2/c1-4-11-5-6-14(19-3)12(8-11)13-9-16-15(17-13)7-10(2)18/h5-6,8-9H,4,7H2,1-3H3,(H,16,17)
InChIKeyOKSPRJLJLGQIDV-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.78
Rot. Bonds5

About 1-[5-(5-ethyl-2-methoxyphenyl)-1H-imidazol-2-yl]propan-2-one

1-[5-(5-ethyl-2-methoxyphenyl)-1H-imidazol-2-yl]propan-2-one (PubChem CID 116880798) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[5-(5-ethyl-2-methoxyphenyl)-1H-imidazol-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[5-(5-ethyl-2-methoxyphenyl)-1H-imidazol-2-yl]propan-2-one
PubChem CID116880798
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-[5-(5-ethyl-2-methoxyphenyl)-1H-imidazol-2-yl]propan-2-one
SMILESCCc1ccc(OC)c(-c2cnc(CC(C)=O)[nH]2)c1
InChIInChI=1S/C15H18N2O2/c1-4-11-5-6-14(19-3)12(8-11)13-9-16-15(17-13)7-10(2)18/h5-6,8-9H,4,7H2,1-3H3,(H,16,17)
InChIKeyOKSPRJLJLGQIDV-UHFFFAOYSA-N
XLogP2.78
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloroethyl)-5-(5-ethyl-2-methoxyphenyl)-1H-imidazole
CID 116878196
2-[5-(5-ethyl-2-methoxyphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 116876649
1-[5-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]propan-2-one
CID 116880808
[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]methanol
CID 116878261
[5-(3-ethyl-4-methoxyphenyl)-1H-imidazol-2-yl]methanol
CID 116878283
5-(5-ethyl-2-methoxyphenyl)-1H-pyrazole
CID 116869035
1-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]propan-2-one
CID 116880813
[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]methanethiol
CID 116879145
2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116882773
[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]methanamine
CID 82307343
2-amino-5-(5-ethyl-2-methoxyphenyl)-1H-pyrrole-3-carboxamide;formamide
CID 145464622
3-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid
CID 116878905

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-ethyl-2-methoxyphenyl)-1H-imidazol-2-yl]propan-2-one?
The IUPAC name of 1-[5-(5-ethyl-2-methoxyphenyl)-1H-imidazol-2-yl]propan-2-one (CID 116880798) is 1-[5-(5-ethyl-2-methoxyphenyl)-1H-imidazol-2-yl]propan-2-one.
What is the SMILES notation for 1-[5-(5-ethyl-2-methoxyphenyl)-1H-imidazol-2-yl]propan-2-one?
The canonical SMILES for 1-[5-(5-ethyl-2-methoxyphenyl)-1H-imidazol-2-yl]propan-2-one is CCc1ccc(OC)c(-c2cnc(CC(C)=O)[nH]2)c1.
What is the InChIKey of 1-[5-(5-ethyl-2-methoxyphenyl)-1H-imidazol-2-yl]propan-2-one?
The InChIKey is OKSPRJLJLGQIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-4-11-5-6-14(19-3)12(8-11)13-9-16-15(17-13)7-10(2)18/h5-6,8-9H,4,7H2,1-3H3,(H,16,17).
What are the key properties of 1-[5-(5-ethyl-2-methoxyphenyl)-1H-imidazol-2-yl]propan-2-one?
1-[5-(5-ethyl-2-methoxyphenyl)-1H-imidazol-2-yl]propan-2-one has a molecular weight of 258.32 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-ethyl-2-methoxyphenyl)-1H-imidazol-2-yl]propan-2-one is sourced from PubChem (CID 116880798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).