1-[4-(3-methoxyphenoxy)butyl]-2-methylimidazole

C15H20N2O2 — CID 2935203

IUPAC1-[4-(3-methoxyphenoxy)butyl]-2-methylimidazole
SMILESCOc1cccc(OCCCCn2ccnc2C)c1
InChIInChI=1S/C15H20N2O2/c1-13-16-8-10-17(13)9-3-4-11-19-15-7-5-6-14(12-15)18-2/h5-8,10,12H,3-4,9,11H2,1-2H3
InChIKeyCKAZPVIKVJOFQI-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.06
Rot. Bonds7

About 1-[4-(3-methoxyphenoxy)butyl]-2-methylimidazole

1-[4-(3-methoxyphenoxy)butyl]-2-methylimidazole (PubChem CID 2935203) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[4-(3-methoxyphenoxy)butyl]-2-methylimidazole.

Molecular Properties

Compound Name1-[4-(3-methoxyphenoxy)butyl]-2-methylimidazole
PubChem CID2935203
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-[4-(3-methoxyphenoxy)butyl]-2-methylimidazole
SMILESCOc1cccc(OCCCCn2ccnc2C)c1
InChIInChI=1S/C15H20N2O2/c1-13-16-8-10-17(13)9-3-4-11-19-15-7-5-6-14(12-15)18-2/h5-8,10,12H,3-4,9,11H2,1-2H3
InChIKeyCKAZPVIKVJOFQI-UHFFFAOYSA-N
XLogP3.06
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(3,4-dichlorophenoxy)butyl]-2-methylimidazole
CID 75396526
3-[3-(2-methylimidazol-1-yl)propoxy]benzonitrile
CID 43289188
1-[2-(4-methoxyphenoxy)ethyl]-2-methylimidazole
CID 887351
1-[6-(3-methoxyphenoxy)hexyl]imidazole
CID 3758429
1-[(3S)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one
CID 96573973
(1S)-1-[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanol
CID 55191298
1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one
CID 70768855
1-[4-(3-methoxyphenoxy)butoxy]-3,5-dimethylbenzene
CID 2251913
2-methyl-N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 62446843
1-[2-[3-(3-chloroprop-1-ynyl)phenoxy]ethyl]-2-methylimidazole
CID 61493662
3-[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]prop-2-yn-1-amine
CID 61493808
2-(3-methoxyphenoxy)-1-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90493100

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxyphenoxy)butyl]-2-methylimidazole?
The IUPAC name of 1-[4-(3-methoxyphenoxy)butyl]-2-methylimidazole (CID 2935203) is 1-[4-(3-methoxyphenoxy)butyl]-2-methylimidazole.
What is the SMILES notation for 1-[4-(3-methoxyphenoxy)butyl]-2-methylimidazole?
The canonical SMILES for 1-[4-(3-methoxyphenoxy)butyl]-2-methylimidazole is COc1cccc(OCCCCn2ccnc2C)c1.
What is the InChIKey of 1-[4-(3-methoxyphenoxy)butyl]-2-methylimidazole?
The InChIKey is CKAZPVIKVJOFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-13-16-8-10-17(13)9-3-4-11-19-15-7-5-6-14(12-15)18-2/h5-8,10,12H,3-4,9,11H2,1-2H3.
What are the key properties of 1-[4-(3-methoxyphenoxy)butyl]-2-methylimidazole?
1-[4-(3-methoxyphenoxy)butyl]-2-methylimidazole has a molecular weight of 260.34 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxyphenoxy)butyl]-2-methylimidazole is sourced from PubChem (CID 2935203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).