2-[(6-bromonaphthalen-2-yl)oxymethyl]-1-ethylimidazole

C16H15BrN2O — CID 62736409

IUPAC2-[(6-bromonaphthalen-2-yl)oxymethyl]-1-ethylimidazole
SMILESCCn1ccnc1COc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H15BrN2O/c1-2-19-8-7-18-16(19)11-20-15-6-4-12-9-14(17)5-3-13(12)10-15/h3-10H,2,11H2,1H3
InChIKeyMNJASPAZQDLWIG-UHFFFAOYSA-N
MW331.21 g/mol
LogP4.40
Rot. Bonds4

About 2-[(6-bromonaphthalen-2-yl)oxymethyl]-1-ethylimidazole

2-[(6-bromonaphthalen-2-yl)oxymethyl]-1-ethylimidazole (PubChem CID 62736409) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is 2-[(6-bromonaphthalen-2-yl)oxymethyl]-1-ethylimidazole.

Molecular Properties

Compound Name2-[(6-bromonaphthalen-2-yl)oxymethyl]-1-ethylimidazole
PubChem CID62736409
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name2-[(6-bromonaphthalen-2-yl)oxymethyl]-1-ethylimidazole
SMILESCCn1ccnc1COc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H15BrN2O/c1-2-19-8-7-18-16(19)11-20-15-6-4-12-9-14(17)5-3-13(12)10-15/h3-10H,2,11H2,1H3
InChIKeyMNJASPAZQDLWIG-UHFFFAOYSA-N
XLogP4.40
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-2-[(4-ethylphenoxy)methyl]imidazole
CID 63678506
1-[5-bromo-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 55109188
1-[4-bromo-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-ethylethanamine
CID 102947693
4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonamide
CID 78990443
(1S)-1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]propan-1-ol
CID 78932314
[5-[(1-ethylimidazol-2-yl)methoxy]-2-pyridinyl]methanol
CID 79799356
2-[(2-bromo-4-methylphenoxy)methyl]-1-ethylimidazole
CID 62736045
1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]propan-1-one
CID 62406936
N-ethyl-1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 62738073
1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494639
4-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]butan-2-amine
CID 62737524
2-bromo-6-[(3,5-dimethylphenyl)methoxy]naphthalene
CID 60624731

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromonaphthalen-2-yl)oxymethyl]-1-ethylimidazole?
The IUPAC name of 2-[(6-bromonaphthalen-2-yl)oxymethyl]-1-ethylimidazole (CID 62736409) is 2-[(6-bromonaphthalen-2-yl)oxymethyl]-1-ethylimidazole.
What is the SMILES notation for 2-[(6-bromonaphthalen-2-yl)oxymethyl]-1-ethylimidazole?
The canonical SMILES for 2-[(6-bromonaphthalen-2-yl)oxymethyl]-1-ethylimidazole is CCn1ccnc1COc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 2-[(6-bromonaphthalen-2-yl)oxymethyl]-1-ethylimidazole?
The InChIKey is MNJASPAZQDLWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c1-2-19-8-7-18-16(19)11-20-15-6-4-12-9-14(17)5-3-13(12)10-15/h3-10H,2,11H2,1H3.
What are the key properties of 2-[(6-bromonaphthalen-2-yl)oxymethyl]-1-ethylimidazole?
2-[(6-bromonaphthalen-2-yl)oxymethyl]-1-ethylimidazole has a molecular weight of 331.21 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromonaphthalen-2-yl)oxymethyl]-1-ethylimidazole is sourced from PubChem (CID 62736409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).