4-bromo-5-[2-(2-methoxy-5-methylphenyl)ethyl]-1,2-dimethylimidazole

C15H19BrN2O — CID 84605594

IUPAC4-bromo-5-[2-(2-methoxy-5-methylphenyl)ethyl]-1,2-dimethylimidazole
SMILESCOc1ccc(C)cc1CCc1c(Br)nc(C)n1C
InChIInChI=1S/C15H19BrN2O/c1-10-5-8-14(19-4)12(9-10)6-7-13-15(16)17-11(2)18(13)3/h5,8-9H,6-7H2,1-4H3
InChIKeyZYUUBQKKCDNPBI-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.59
Rot. Bonds4

About 4-bromo-5-[2-(2-methoxy-5-methylphenyl)ethyl]-1,2-dimethylimidazole

4-bromo-5-[2-(2-methoxy-5-methylphenyl)ethyl]-1,2-dimethylimidazole (PubChem CID 84605594) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is 4-bromo-5-[2-(2-methoxy-5-methylphenyl)ethyl]-1,2-dimethylimidazole.

Molecular Properties

Compound Name4-bromo-5-[2-(2-methoxy-5-methylphenyl)ethyl]-1,2-dimethylimidazole
PubChem CID84605594
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name4-bromo-5-[2-(2-methoxy-5-methylphenyl)ethyl]-1,2-dimethylimidazole
SMILESCOc1ccc(C)cc1CCc1c(Br)nc(C)n1C
InChIInChI=1S/C15H19BrN2O/c1-10-5-8-14(19-4)12(9-10)6-7-13-15(16)17-11(2)18(13)3/h5,8-9H,6-7H2,1-4H3
InChIKeyZYUUBQKKCDNPBI-UHFFFAOYSA-N
XLogP3.59
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(2-methoxy-5-methylphenyl)-1,4-dimethylimidazole
CID 130471937
2-[5-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96665640
(2-methoxy-5-methylphenyl)methyl-trimethylsilane
CID 141465677
2-but-3-ynyl-1-methoxy-4-methylbenzene
CID 82363112
1-[2-(2-methoxy-5-methylphenyl)ethyl]piperazine
CID 82083196
5-(chloromethyl)-2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-1-methylimidazole
CID 113373734
5-bromo-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylpyridin-2-amine
CID 115148643
N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120969269
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-[2-(2-methoxy-5-methylphenyl)ethyl]-3-prop-2-enylguanidine
CID 111388416
2-(4-bromo-5-methylhexyl)-1-methoxy-4-methylbenzene
CID 64509437
1-(2-methoxy-5-methylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 54903130
1-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-2-one
CID 82129052

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[2-(2-methoxy-5-methylphenyl)ethyl]-1,2-dimethylimidazole?
The IUPAC name of 4-bromo-5-[2-(2-methoxy-5-methylphenyl)ethyl]-1,2-dimethylimidazole (CID 84605594) is 4-bromo-5-[2-(2-methoxy-5-methylphenyl)ethyl]-1,2-dimethylimidazole.
What is the SMILES notation for 4-bromo-5-[2-(2-methoxy-5-methylphenyl)ethyl]-1,2-dimethylimidazole?
The canonical SMILES for 4-bromo-5-[2-(2-methoxy-5-methylphenyl)ethyl]-1,2-dimethylimidazole is COc1ccc(C)cc1CCc1c(Br)nc(C)n1C.
What is the InChIKey of 4-bromo-5-[2-(2-methoxy-5-methylphenyl)ethyl]-1,2-dimethylimidazole?
The InChIKey is ZYUUBQKKCDNPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-10-5-8-14(19-4)12(9-10)6-7-13-15(16)17-11(2)18(13)3/h5,8-9H,6-7H2,1-4H3.
What are the key properties of 4-bromo-5-[2-(2-methoxy-5-methylphenyl)ethyl]-1,2-dimethylimidazole?
4-bromo-5-[2-(2-methoxy-5-methylphenyl)ethyl]-1,2-dimethylimidazole has a molecular weight of 323.23 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[2-(2-methoxy-5-methylphenyl)ethyl]-1,2-dimethylimidazole is sourced from PubChem (CID 84605594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).