1-(8-bromo-7-methoxy-3,4-dihydronaphthalen-2-yl)imidazole

C14H13BrN2O — CID 3021560

IUPAC1-(8-bromo-7-methoxy-3,4-dihydronaphthalen-2-yl)imidazole
SMILESCOc1ccc2c(c1Br)C=C(n1ccnc1)CC2
InChIInChI=1S/C14H13BrN2O/c1-18-13-5-3-10-2-4-11(8-12(10)14(13)15)17-7-6-16-9-17/h3,5-9H,2,4H2,1H3
InChIKeySPYGPVJHZUPOAQ-UHFFFAOYSA-N
MW305.18 g/mol
LogP3.60
Rot. Bonds2

About 1-(8-bromo-7-methoxy-3,4-dihydronaphthalen-2-yl)imidazole

1-(8-bromo-7-methoxy-3,4-dihydronaphthalen-2-yl)imidazole (PubChem CID 3021560) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is 1-(8-bromo-7-methoxy-3,4-dihydronaphthalen-2-yl)imidazole.

Molecular Properties

Compound Name1-(8-bromo-7-methoxy-3,4-dihydronaphthalen-2-yl)imidazole
PubChem CID3021560
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC Name1-(8-bromo-7-methoxy-3,4-dihydronaphthalen-2-yl)imidazole
SMILESCOc1ccc2c(c1Br)C=C(n1ccnc1)CC2
InChIInChI=1S/C14H13BrN2O/c1-18-13-5-3-10-2-4-11(8-12(10)14(13)15)17-7-6-16-9-17/h3,5-9H,2,4H2,1H3
InChIKeySPYGPVJHZUPOAQ-UHFFFAOYSA-N
XLogP3.60
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-Methoxy-3,4-dihydronaphthalen-2-yl)-1H-imidazole
CID 3021561
1-[(3-Bromo-4-methoxyphenyl)methyl]imidazole;hydrochloride
CID 2951929
1-[(1-bromo-2-naphthyl)oxy]-3-(1H-imidazol-1-yl)-2-propanol
CID 2945320
1-[3-(2-bromo-4-methylphenoxy)propyl]-1H-imidazole
CID 2922618
4-[2-(3-Bromophenyl)-1-(4-methoxyphenyl)ethyl]-1-methylimidazol-2-amine
CID 44219585
1H-Imidazole, 1-(3,4-dihydro-7-methoxy-2-naphthalenyl)-
CID 3021557
1H-Imidazole, 1-(1,2,3,4-tetrahydro-7-methoxy-2-naphthalenyl)-
CID 3021564
1-(3-bromo-4-methoxybenzyl)-1H-imidazole
CID 660598
Cambridge id 7008181
CID 762607
Cambridge id 7003013
CID 2922381
1-{3-[(1-bromo-2-naphthyl)oxy]propyl}-1H-imidazole
CID 2922847
1-{4-[(1-bromo-2-naphthyl)oxy]butyl}-1H-imidazole oxalate
CID 2923805

Frequently Asked Questions

What is the IUPAC name of 1-(8-bromo-7-methoxy-3,4-dihydronaphthalen-2-yl)imidazole?
The IUPAC name of 1-(8-bromo-7-methoxy-3,4-dihydronaphthalen-2-yl)imidazole (CID 3021560) is 1-(8-bromo-7-methoxy-3,4-dihydronaphthalen-2-yl)imidazole.
What is the SMILES notation for 1-(8-bromo-7-methoxy-3,4-dihydronaphthalen-2-yl)imidazole?
The canonical SMILES for 1-(8-bromo-7-methoxy-3,4-dihydronaphthalen-2-yl)imidazole is COc1ccc2c(c1Br)C=C(n1ccnc1)CC2.
What is the InChIKey of 1-(8-bromo-7-methoxy-3,4-dihydronaphthalen-2-yl)imidazole?
The InChIKey is SPYGPVJHZUPOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O/c1-18-13-5-3-10-2-4-11(8-12(10)14(13)15)17-7-6-16-9-17/h3,5-9H,2,4H2,1H3.
What are the key properties of 1-(8-bromo-7-methoxy-3,4-dihydronaphthalen-2-yl)imidazole?
1-(8-bromo-7-methoxy-3,4-dihydronaphthalen-2-yl)imidazole has a molecular weight of 305.18 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-bromo-7-methoxy-3,4-dihydronaphthalen-2-yl)imidazole is sourced from PubChem (CID 3021560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).