1-[5-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]propan-2-one

C15H18N2O2 — CID 116880808

IUPAC1-[5-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]propan-2-one
SMILESCOc1c(C)cc(C)cc1-c1cnc(CC(C)=O)[nH]1
InChIInChI=1S/C15H18N2O2/c1-9-5-10(2)15(19-4)12(6-9)13-8-16-14(17-13)7-11(3)18/h5-6,8H,7H2,1-4H3,(H,16,17)
InChIKeyRGJJXQKOAVTJMP-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.83
Rot. Bonds4

About 1-[5-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]propan-2-one

1-[5-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]propan-2-one (PubChem CID 116880808) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[5-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[5-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]propan-2-one
PubChem CID116880808
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-[5-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]propan-2-one
SMILESCOc1c(C)cc(C)cc1-c1cnc(CC(C)=O)[nH]1
InChIInChI=1S/C15H18N2O2/c1-9-5-10(2)15(19-4)12(6-9)13-8-16-14(17-13)7-11(3)18/h5-6,8H,7H2,1-4H3,(H,16,17)
InChIKeyRGJJXQKOAVTJMP-UHFFFAOYSA-N
XLogP2.83
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]propan-2-one
CID 116880786
1-[5-(5-ethyl-2-methoxyphenyl)-1H-imidazol-2-yl]propan-2-one
CID 116880798
methyl 2-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]acetate
CID 116880265
2-[5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazol-2-yl]acetic acid
CID 116878624
[5-(5-chloro-2-methoxy-3-methylphenyl)-1H-imidazol-2-yl]methanethiol
CID 116879196
2-(chloromethyl)-5-(4-methoxy-2,3,5-trimethylphenyl)-1H-imidazole
CID 116878079
2-[4-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]acetic acid
CID 82301640
2-[4-(2-methoxy-3,5-dimethylphenyl)pyrimidin-5-yl]acetic acid
CID 82306329
2-[5-(4-methoxy-2,3,5-trimethylphenyl)-1H-imidazol-2-yl]ethanamine
CID 82301218
5-(2-methoxy-3,5-dimethylphenyl)-N-methyl-1H-pyrazol-3-amine
CID 116827245
2-[2-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-5-yl]ethanol
CID 116852103
4-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]butan-2-one
CID 116880882

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]propan-2-one?
The IUPAC name of 1-[5-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]propan-2-one (CID 116880808) is 1-[5-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]propan-2-one.
What is the SMILES notation for 1-[5-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]propan-2-one?
The canonical SMILES for 1-[5-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]propan-2-one is COc1c(C)cc(C)cc1-c1cnc(CC(C)=O)[nH]1.
What is the InChIKey of 1-[5-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]propan-2-one?
The InChIKey is RGJJXQKOAVTJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-9-5-10(2)15(19-4)12(6-9)13-8-16-14(17-13)7-11(3)18/h5-6,8H,7H2,1-4H3,(H,16,17).
What are the key properties of 1-[5-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]propan-2-one?
1-[5-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]propan-2-one has a molecular weight of 258.32 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]propan-2-one is sourced from PubChem (CID 116880808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).