5-[(6-bromonaphthalen-2-yl)oxymethyl]-1-propan-2-ylimidazole

C17H17BrN2O — CID 66154990

IUPAC5-[(6-bromonaphthalen-2-yl)oxymethyl]-1-propan-2-ylimidazole
SMILESCC(C)n1cncc1COc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H17BrN2O/c1-12(2)20-11-19-9-16(20)10-21-17-6-4-13-7-15(18)5-3-14(13)8-17/h3-9,11-12H,10H2,1-2H3
InChIKeyXGVNXENZTDBIJT-UHFFFAOYSA-N
MW345.24 g/mol
LogP4.96
Rot. Bonds4

About 5-[(6-bromonaphthalen-2-yl)oxymethyl]-1-propan-2-ylimidazole

5-[(6-bromonaphthalen-2-yl)oxymethyl]-1-propan-2-ylimidazole (PubChem CID 66154990) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is 5-[(6-bromonaphthalen-2-yl)oxymethyl]-1-propan-2-ylimidazole.

Molecular Properties

Compound Name5-[(6-bromonaphthalen-2-yl)oxymethyl]-1-propan-2-ylimidazole
PubChem CID66154990
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC Name5-[(6-bromonaphthalen-2-yl)oxymethyl]-1-propan-2-ylimidazole
SMILESCC(C)n1cncc1COc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H17BrN2O/c1-12(2)20-11-19-9-16(20)10-21-17-6-4-13-7-15(18)5-3-14(13)8-17/h3-9,11-12H,10H2,1-2H3
InChIKeyXGVNXENZTDBIJT-UHFFFAOYSA-N
XLogP4.96
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(5-bromo-2-methylphenoxy)methyl]-1-propan-2-ylimidazole
CID 107284312
5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-1-propan-2-ylimidazole
CID 115402091
1-[5-bromo-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 66152678
(1S)-1-[4-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanamine
CID 66153632
2-[4-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol
CID 107709544
(1R)-1-[4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanamine
CID 82002809
N-[[5-[(3-propan-2-ylimidazol-4-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79781690
4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzaldehyde
CID 66153443
5-[(2-chlorophenoxy)methyl]-1-propan-2-ylimidazole
CID 66154438
2-bromo-6-(methoxymethoxy)naphthalene
CID 14499197
1-[4-methyl-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanone
CID 66154216
1-(6-bromonaphthalen-2-yl)oxypropan-2-ol
CID 65278074

Frequently Asked Questions

What is the IUPAC name of 5-[(6-bromonaphthalen-2-yl)oxymethyl]-1-propan-2-ylimidazole?
The IUPAC name of 5-[(6-bromonaphthalen-2-yl)oxymethyl]-1-propan-2-ylimidazole (CID 66154990) is 5-[(6-bromonaphthalen-2-yl)oxymethyl]-1-propan-2-ylimidazole.
What is the SMILES notation for 5-[(6-bromonaphthalen-2-yl)oxymethyl]-1-propan-2-ylimidazole?
The canonical SMILES for 5-[(6-bromonaphthalen-2-yl)oxymethyl]-1-propan-2-ylimidazole is CC(C)n1cncc1COc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 5-[(6-bromonaphthalen-2-yl)oxymethyl]-1-propan-2-ylimidazole?
The InChIKey is XGVNXENZTDBIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O/c1-12(2)20-11-19-9-16(20)10-21-17-6-4-13-7-15(18)5-3-14(13)8-17/h3-9,11-12H,10H2,1-2H3.
What are the key properties of 5-[(6-bromonaphthalen-2-yl)oxymethyl]-1-propan-2-ylimidazole?
5-[(6-bromonaphthalen-2-yl)oxymethyl]-1-propan-2-ylimidazole has a molecular weight of 345.24 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-bromonaphthalen-2-yl)oxymethyl]-1-propan-2-ylimidazole is sourced from PubChem (CID 66154990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).