2-[(2-bromo-4-methylphenoxy)methyl]-1-ethylimidazole

C13H15BrN2O — CID 62736045

IUPAC2-[(2-bromo-4-methylphenoxy)methyl]-1-ethylimidazole
SMILESCCn1ccnc1COc1ccc(C)cc1Br
InChIInChI=1S/C13H15BrN2O/c1-3-16-7-6-15-13(16)9-17-12-5-4-10(2)8-11(12)14/h4-8H,3,9H2,1-2H3
InChIKeyQYVPMHGUIAJCLT-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.55
Rot. Bonds4

About 2-[(2-bromo-4-methylphenoxy)methyl]-1-ethylimidazole

2-[(2-bromo-4-methylphenoxy)methyl]-1-ethylimidazole (PubChem CID 62736045) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 2-[(2-bromo-4-methylphenoxy)methyl]-1-ethylimidazole.

Molecular Properties

Compound Name2-[(2-bromo-4-methylphenoxy)methyl]-1-ethylimidazole
PubChem CID62736045
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name2-[(2-bromo-4-methylphenoxy)methyl]-1-ethylimidazole
SMILESCCn1ccnc1COc1ccc(C)cc1Br
InChIInChI=1S/C13H15BrN2O/c1-3-16-7-6-15-13(16)9-17-12-5-4-10(2)8-11(12)14/h4-8H,3,9H2,1-2H3
InChIKeyQYVPMHGUIAJCLT-UHFFFAOYSA-N
XLogP3.55
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-ethylimidazol-2-yl)methoxy]-5-methylbenzaldehyde
CID 63325007
1-[2-[(1-ethylimidazol-2-yl)methoxy]-5-methylphenyl]ethanone
CID 62406948
N-[[3-bromo-4-[(1-ethylimidazol-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 63045360
N-ethyl-1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-methylphenyl]ethanamine
CID 63640480
1-[5-bromo-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 55109188
3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]benzaldehyde
CID 62406949
1-[4-[(1-ethylimidazol-2-yl)methoxy]-3-methylphenyl]ethanone
CID 112689409
2-[(6-bromonaphthalen-2-yl)oxymethyl]-1-ethylimidazole
CID 62736409
2-bromo-1-ethoxy-4-methylbenzene;ethane
CID 143442482
1-[4-bromo-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-ethylethanamine
CID 102947693
N-(2-bromo-4-methylphenyl)-1-ethylimidazol-2-amine
CID 106555659
1-[2-[(1-ethylimidazol-2-yl)methoxy]-5-fluorophenyl]-N-methylmethanamine
CID 107695374

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-methylphenoxy)methyl]-1-ethylimidazole?
The IUPAC name of 2-[(2-bromo-4-methylphenoxy)methyl]-1-ethylimidazole (CID 62736045) is 2-[(2-bromo-4-methylphenoxy)methyl]-1-ethylimidazole.
What is the SMILES notation for 2-[(2-bromo-4-methylphenoxy)methyl]-1-ethylimidazole?
The canonical SMILES for 2-[(2-bromo-4-methylphenoxy)methyl]-1-ethylimidazole is CCn1ccnc1COc1ccc(C)cc1Br.
What is the InChIKey of 2-[(2-bromo-4-methylphenoxy)methyl]-1-ethylimidazole?
The InChIKey is QYVPMHGUIAJCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-3-16-7-6-15-13(16)9-17-12-5-4-10(2)8-11(12)14/h4-8H,3,9H2,1-2H3.
What are the key properties of 2-[(2-bromo-4-methylphenoxy)methyl]-1-ethylimidazole?
2-[(2-bromo-4-methylphenoxy)methyl]-1-ethylimidazole has a molecular weight of 295.18 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-methylphenoxy)methyl]-1-ethylimidazole is sourced from PubChem (CID 62736045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).