1-(6-bromo-3,4-dihydronaphthalen-2-yl)imidazole

C13H11BrN2 — CID 15049001

IUPAC1-(6-bromo-3,4-dihydronaphthalen-2-yl)imidazole
SMILESBrc1ccc2c(c1)CCC(n1ccnc1)=C2
InChIInChI=1S/C13H11BrN2/c14-12-3-1-11-8-13(4-2-10(11)7-12)16-6-5-15-9-16/h1,3,5-9H,2,4H2
InChIKeyJZSHLKQIFFKSJF-UHFFFAOYSA-N
MW275.15 g/mol
LogP3.59
Rot. Bonds1

About 1-(6-bromo-3,4-dihydronaphthalen-2-yl)imidazole

1-(6-bromo-3,4-dihydronaphthalen-2-yl)imidazole (PubChem CID 15049001) has the molecular formula C13H11BrN2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 1-(6-bromo-3,4-dihydronaphthalen-2-yl)imidazole.

Molecular Properties

Compound Name1-(6-bromo-3,4-dihydronaphthalen-2-yl)imidazole
PubChem CID15049001
Molecular FormulaC13H11BrN2
Molecular Weight275.15 g/mol
Exact Mass274.01
IUPAC Name1-(6-bromo-3,4-dihydronaphthalen-2-yl)imidazole
SMILESBrc1ccc2c(c1)CCC(n1ccnc1)=C2
InChIInChI=1S/C13H11BrN2/c14-12-3-1-11-8-13(4-2-10(11)7-12)16-6-5-15-9-16/h1,3,5-9H,2,4H2
InChIKeyJZSHLKQIFFKSJF-UHFFFAOYSA-N
XLogP3.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydronaphthalen-2-yl)-1H-imidazole
CID 3021558
1-(3-Bromobenzyl)-1H-imidazole
CID 10220337
1-(4-Bromobenzyl)-1H-imidazole
CID 2989557
1-(1H-inden-2-yl)-1H-imidazole
CID 6540058
1H-Imidazole, 1-[2-(1,2,3,4-tetrahydro-1-naphthalenyl)ethyl]-
CID 10823139
1-(3-(4-Bromophenyl)propyl)imidazole
CID 12870397
1-(3-Phenylpropyl)-1H-imidazole
CID 9989980
1-((3,5-Dibromophenyl)methyl)-1H-imidazole
CID 44414099
1,3-Bis[(4-bromophenyl)methyl]imidazol-1-ium bromide
CID 46185138
Heme Oxygenase-1-IN-1
CID 57775660
1-(4-bromophenethyl)-1H-imidazole
CID 19371551
1-[Bis-(4-bromo-phenyl)-methyl]-1H-imidazole
CID 44356608

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-3,4-dihydronaphthalen-2-yl)imidazole?
The IUPAC name of 1-(6-bromo-3,4-dihydronaphthalen-2-yl)imidazole (CID 15049001) is 1-(6-bromo-3,4-dihydronaphthalen-2-yl)imidazole.
What is the SMILES notation for 1-(6-bromo-3,4-dihydronaphthalen-2-yl)imidazole?
The canonical SMILES for 1-(6-bromo-3,4-dihydronaphthalen-2-yl)imidazole is Brc1ccc2c(c1)CCC(n1ccnc1)=C2.
What is the InChIKey of 1-(6-bromo-3,4-dihydronaphthalen-2-yl)imidazole?
The InChIKey is JZSHLKQIFFKSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2/c14-12-3-1-11-8-13(4-2-10(11)7-12)16-6-5-15-9-16/h1,3,5-9H,2,4H2.
What are the key properties of 1-(6-bromo-3,4-dihydronaphthalen-2-yl)imidazole?
1-(6-bromo-3,4-dihydronaphthalen-2-yl)imidazole has a molecular weight of 275.15 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-3,4-dihydronaphthalen-2-yl)imidazole is sourced from PubChem (CID 15049001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).