4-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]butan-2-one

C15H18N2O2 — CID 116880882

IUPAC4-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]butan-2-one
SMILESCOc1ccc(-c2cnc(CCC(C)=O)[nH]2)cc1C
InChIInChI=1S/C15H18N2O2/c1-10-8-12(5-6-14(10)19-3)13-9-16-15(17-13)7-4-11(2)18/h5-6,8-9H,4,7H2,1-3H3,(H,16,17)
InChIKeyWUTMUJSZELVMFQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.92
Rot. Bonds5

About 4-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]butan-2-one

4-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]butan-2-one (PubChem CID 116880882) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]butan-2-one.

Molecular Properties

Compound Name4-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]butan-2-one
PubChem CID116880882
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]butan-2-one
SMILESCOc1ccc(-c2cnc(CCC(C)=O)[nH]2)cc1C
InChIInChI=1S/C15H18N2O2/c1-10-8-12(5-6-14(10)19-3)13-9-16-15(17-13)7-4-11(2)18/h5-6,8-9H,4,7H2,1-3H3,(H,16,17)
InChIKeyWUTMUJSZELVMFQ-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]methanamine
CID 82285154
4-[5-[4-[4-[2-(3-oxobutyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pentan-2-one
CID 123956504
5-[2-(3-oxobutyl)-1H-imidazol-5-yl]-1,3-dihydroindol-2-one
CID 116880898
2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 116876636
[5-(3-ethyl-4-methoxyphenyl)-1H-imidazol-2-yl]methanol
CID 116878283
[2-(4-methoxy-3-methylphenyl)-1H-imidazol-5-yl]methanol
CID 63108344
3-[5-bromo-4-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]propanoic acid
CID 84611926
methyl 3-(5-phenyl-1H-imidazol-2-yl)propanoate
CID 116880424
5-(2-ethyl-1H-imidazol-5-yl)-2-methoxyaniline
CID 115030164
2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]-N-methylpropan-2-amine
CID 116879058
1-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]cyclopropan-1-amine
CID 116883439
6-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine
CID 43651738

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]butan-2-one?
The IUPAC name of 4-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]butan-2-one (CID 116880882) is 4-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]butan-2-one.
What is the SMILES notation for 4-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]butan-2-one?
The canonical SMILES for 4-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]butan-2-one is COc1ccc(-c2cnc(CCC(C)=O)[nH]2)cc1C.
What is the InChIKey of 4-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]butan-2-one?
The InChIKey is WUTMUJSZELVMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10-8-12(5-6-14(10)19-3)13-9-16-15(17-13)7-4-11(2)18/h5-6,8-9H,4,7H2,1-3H3,(H,16,17).
What are the key properties of 4-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]butan-2-one?
4-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]butan-2-one has a molecular weight of 258.32 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]butan-2-one is sourced from PubChem (CID 116880882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).