1-[2-(1-bromonaphthalen-2-yl)oxyethyl]-2-methylimidazole

C16H15BrN2O — CID 61493455

IUPAC1-[2-(1-bromonaphthalen-2-yl)oxyethyl]-2-methylimidazole
SMILESCc1nccn1CCOc1ccc2ccccc2c1Br
InChIInChI=1S/C16H15BrN2O/c1-12-18-8-9-19(12)10-11-20-15-7-6-13-4-2-3-5-14(13)16(15)17/h2-9H,10-11H2,1H3
InChIKeyAVSQHCLJMVTPFF-UHFFFAOYSA-N
MW331.21 g/mol
LogP4.19
Rot. Bonds4

About 1-[2-(1-bromonaphthalen-2-yl)oxyethyl]-2-methylimidazole

1-[2-(1-bromonaphthalen-2-yl)oxyethyl]-2-methylimidazole (PubChem CID 61493455) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is 1-[2-(1-bromonaphthalen-2-yl)oxyethyl]-2-methylimidazole.

Molecular Properties

Compound Name1-[2-(1-bromonaphthalen-2-yl)oxyethyl]-2-methylimidazole
PubChem CID61493455
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name1-[2-(1-bromonaphthalen-2-yl)oxyethyl]-2-methylimidazole
SMILESCc1nccn1CCOc1ccc2ccccc2c1Br
InChIInChI=1S/C16H15BrN2O/c1-12-18-8-9-19(12)10-11-20-15-7-6-13-4-2-3-5-14(13)16(15)17/h2-9H,10-11H2,1H3
InChIKeyAVSQHCLJMVTPFF-UHFFFAOYSA-N
XLogP4.19
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-bromonaphthalen-2-yl)oxyethyl]piperidine
CID 63529278
1-bromo-2-nonoxynaphthalene
CID 63529773
1-[2-(4-methoxyphenoxy)ethyl]-2-methylimidazole
CID 887351
1-bromo-2-(2-propoxyethoxy)naphthalene
CID 106452980
3-chloro-4-[2-(2-methylimidazol-1-yl)ethoxy]aniline
CID 54961449
3-fluoro-4-[2-(2-methylimidazol-1-yl)ethoxy]aniline
CID 54961547
5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]benzaldehyde
CID 63324827
3-[2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]prop-2-yn-1-amine
CID 61493775
[1-[2-(1-bromonaphthalen-2-yl)oxyethyl]triazol-4-yl]methanamine
CID 62486309
1-bromo-2-(3-methylbut-3-enoxy)naphthalene
CID 114472659
N-[[5-bromo-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 61493104
N-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methylbutan-2-amine
CID 63517046

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-bromonaphthalen-2-yl)oxyethyl]-2-methylimidazole?
The IUPAC name of 1-[2-(1-bromonaphthalen-2-yl)oxyethyl]-2-methylimidazole (CID 61493455) is 1-[2-(1-bromonaphthalen-2-yl)oxyethyl]-2-methylimidazole.
What is the SMILES notation for 1-[2-(1-bromonaphthalen-2-yl)oxyethyl]-2-methylimidazole?
The canonical SMILES for 1-[2-(1-bromonaphthalen-2-yl)oxyethyl]-2-methylimidazole is Cc1nccn1CCOc1ccc2ccccc2c1Br.
What is the InChIKey of 1-[2-(1-bromonaphthalen-2-yl)oxyethyl]-2-methylimidazole?
The InChIKey is AVSQHCLJMVTPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c1-12-18-8-9-19(12)10-11-20-15-7-6-13-4-2-3-5-14(13)16(15)17/h2-9H,10-11H2,1H3.
What are the key properties of 1-[2-(1-bromonaphthalen-2-yl)oxyethyl]-2-methylimidazole?
1-[2-(1-bromonaphthalen-2-yl)oxyethyl]-2-methylimidazole has a molecular weight of 331.21 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-bromonaphthalen-2-yl)oxyethyl]-2-methylimidazole is sourced from PubChem (CID 61493455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).