2-[(2-tert-butyl-3-fluorophenoxy)methyl]-1-methylimidazole

C15H19FN2O — CID 122606420

IUPAC2-[(2-tert-butyl-3-fluorophenoxy)methyl]-1-methylimidazole
SMILESCn1ccnc1COc1cccc(F)c1C(C)(C)C
InChIInChI=1S/C15H19FN2O/c1-15(2,3)14-11(16)6-5-7-12(14)19-10-13-17-8-9-18(13)4/h5-9H,10H2,1-4H3
InChIKeyBEAOZWOBMOZXDX-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.44
Rot. Bonds3

About 2-[(2-tert-butyl-3-fluorophenoxy)methyl]-1-methylimidazole

2-[(2-tert-butyl-3-fluorophenoxy)methyl]-1-methylimidazole (PubChem CID 122606420) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-[(2-tert-butyl-3-fluorophenoxy)methyl]-1-methylimidazole.

Molecular Properties

Compound Name2-[(2-tert-butyl-3-fluorophenoxy)methyl]-1-methylimidazole
PubChem CID122606420
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name2-[(2-tert-butyl-3-fluorophenoxy)methyl]-1-methylimidazole
SMILESCn1ccnc1COc1cccc(F)c1C(C)(C)C
InChIInChI=1S/C15H19FN2O/c1-15(2,3)14-11(16)6-5-7-12(14)19-10-13-17-8-9-18(13)4/h5-9H,10H2,1-4H3
InChIKeyBEAOZWOBMOZXDX-UHFFFAOYSA-N
XLogP3.44
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-fluoro-6-[(1-methylimidazol-2-yl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82250230
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CID 43088131
5-[(2-tert-butyl-3-fluorophenoxy)methyl]-1-methyl-2-nitroimidazole
CID 122606363
2-chloro-6-[(1-methylimidazol-2-yl)methoxy]benzaldehyde
CID 60791778
1-(2-fluoro-6-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 112695118
2,6-difluoro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527510
5-fluoro-2-[(1-methylimidazol-2-yl)methoxy]benzoic acid
CID 71741821
(1R)-1-[3-fluoro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol
CID 113389649
(1S)-1-[3-fluoro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol
CID 113389690
1-methyl-4-[2-[(1-methylimidazol-2-yl)methoxy]phenyl]piperazine
CID 58996743
1-(2-fluorophenyl)-2-methyl-3-(1-methylimidazol-2-yl)propan-2-ol
CID 114832719
3-[(1-methylimidazol-2-yl)methoxy]aniline
CID 39201154

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butyl-3-fluorophenoxy)methyl]-1-methylimidazole?
The IUPAC name of 2-[(2-tert-butyl-3-fluorophenoxy)methyl]-1-methylimidazole (CID 122606420) is 2-[(2-tert-butyl-3-fluorophenoxy)methyl]-1-methylimidazole.
What is the SMILES notation for 2-[(2-tert-butyl-3-fluorophenoxy)methyl]-1-methylimidazole?
The canonical SMILES for 2-[(2-tert-butyl-3-fluorophenoxy)methyl]-1-methylimidazole is Cn1ccnc1COc1cccc(F)c1C(C)(C)C.
What is the InChIKey of 2-[(2-tert-butyl-3-fluorophenoxy)methyl]-1-methylimidazole?
The InChIKey is BEAOZWOBMOZXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-15(2,3)14-11(16)6-5-7-12(14)19-10-13-17-8-9-18(13)4/h5-9H,10H2,1-4H3.
What are the key properties of 2-[(2-tert-butyl-3-fluorophenoxy)methyl]-1-methylimidazole?
2-[(2-tert-butyl-3-fluorophenoxy)methyl]-1-methylimidazole has a molecular weight of 262.33 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butyl-3-fluorophenoxy)methyl]-1-methylimidazole is sourced from PubChem (CID 122606420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).