4-bromo-5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-dimethylimidazole

C15H17BrN2O2 — CID 84611196

IUPAC4-bromo-5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-dimethylimidazole
SMILESCc1nc(Br)c(CCc2ccc3c(c2)OCCO3)n1C
InChIInChI=1S/C15H17BrN2O2/c1-10-17-15(16)12(18(10)2)5-3-11-4-6-13-14(9-11)20-8-7-19-13/h4,6,9H,3,5,7-8H2,1-2H3
InChIKeyHHGCPQGUBHHJMM-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.05
Rot. Bonds3

About 4-bromo-5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-dimethylimidazole

4-bromo-5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-dimethylimidazole (PubChem CID 84611196) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 4-bromo-5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-dimethylimidazole.

Molecular Properties

Compound Name4-bromo-5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-dimethylimidazole
PubChem CID84611196
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name4-bromo-5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-dimethylimidazole
SMILESCc1nc(Br)c(CCc2ccc3c(c2)OCCO3)n1C
InChIInChI=1S/C15H17BrN2O2/c1-10-17-15(16)12(18(10)2)5-3-11-4-6-13-14(9-11)20-8-7-19-13/h4,6,9H,3,5,7-8H2,1-2H3
InChIKeyHHGCPQGUBHHJMM-UHFFFAOYSA-N
XLogP3.05
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methylimidazol-2-amine
CID 84611439
3-chloro-4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-methyl-1,2,4-triazole
CID 55183116
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N-dimethylethanamine
CID 117043729
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-oxazol-5-amine
CID 75357494
5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1,4-dimethylimidazole
CID 59037622
6-(2-fluoroethyl)-2,3-dihydro-1,4-benzodioxine
CID 175038395
3-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,1-diol
CID 163584472
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methylquinolin-4-one
CID 16637727
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,5-dimethylpyrrol-1-amine
CID 79090148
1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3-methylazetidine
CID 144811231
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-methylpyridin-2-amine
CID 60876054
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazol-4-yl]methanamine
CID 82294718

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-dimethylimidazole?
The IUPAC name of 4-bromo-5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-dimethylimidazole (CID 84611196) is 4-bromo-5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-dimethylimidazole.
What is the SMILES notation for 4-bromo-5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-dimethylimidazole?
The canonical SMILES for 4-bromo-5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-dimethylimidazole is Cc1nc(Br)c(CCc2ccc3c(c2)OCCO3)n1C.
What is the InChIKey of 4-bromo-5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-dimethylimidazole?
The InChIKey is HHGCPQGUBHHJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-10-17-15(16)12(18(10)2)5-3-11-4-6-13-14(9-11)20-8-7-19-13/h4,6,9H,3,5,7-8H2,1-2H3.
What are the key properties of 4-bromo-5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-dimethylimidazole?
4-bromo-5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-dimethylimidazole has a molecular weight of 337.22 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-dimethylimidazole is sourced from PubChem (CID 84611196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).