1-[2-(2-bromo-5-fluorophenyl)ethyl]-2-(ethoxymethyl)imidazole

C14H16BrFN2O — CID 167960468

IUPAC1-[2-(2-bromo-5-fluorophenyl)ethyl]-2-(ethoxymethyl)imidazole
SMILESCCOCc1nccn1CCc1cc(F)ccc1Br
InChIInChI=1S/C14H16BrFN2O/c1-2-19-10-14-17-6-8-18(14)7-5-11-9-12(16)3-4-13(11)15/h3-4,6,8-9H,2,5,7,10H2,1H3
InChIKeyKTGDLEWPXDNGEF-UHFFFAOYSA-N
MW327.20 g/mol
LogP3.56
Rot. Bonds6

About 1-[2-(2-bromo-5-fluorophenyl)ethyl]-2-(ethoxymethyl)imidazole

1-[2-(2-bromo-5-fluorophenyl)ethyl]-2-(ethoxymethyl)imidazole (PubChem CID 167960468) has the molecular formula C14H16BrFN2O and a molecular weight of 327.20 g/mol. Its IUPAC name is 1-[2-(2-bromo-5-fluorophenyl)ethyl]-2-(ethoxymethyl)imidazole.

Molecular Properties

Compound Name1-[2-(2-bromo-5-fluorophenyl)ethyl]-2-(ethoxymethyl)imidazole
PubChem CID167960468
Molecular FormulaC14H16BrFN2O
Molecular Weight327.20 g/mol
Exact Mass326.04
IUPAC Name1-[2-(2-bromo-5-fluorophenyl)ethyl]-2-(ethoxymethyl)imidazole
SMILESCCOCc1nccn1CCc1cc(F)ccc1Br
InChIInChI=1S/C14H16BrFN2O/c1-2-19-10-14-17-6-8-18(14)7-5-11-9-12(16)3-4-13(11)15/h3-4,6,8-9H,2,5,7,10H2,1H3
InChIKeyKTGDLEWPXDNGEF-UHFFFAOYSA-N
XLogP3.56
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromo-5-fluorophenyl)ethyl]-2-(ethoxymethyl)imidazole?
The IUPAC name of 1-[2-(2-bromo-5-fluorophenyl)ethyl]-2-(ethoxymethyl)imidazole (CID 167960468) is 1-[2-(2-bromo-5-fluorophenyl)ethyl]-2-(ethoxymethyl)imidazole.
What is the SMILES notation for 1-[2-(2-bromo-5-fluorophenyl)ethyl]-2-(ethoxymethyl)imidazole?
The canonical SMILES for 1-[2-(2-bromo-5-fluorophenyl)ethyl]-2-(ethoxymethyl)imidazole is CCOCc1nccn1CCc1cc(F)ccc1Br.
What is the InChIKey of 1-[2-(2-bromo-5-fluorophenyl)ethyl]-2-(ethoxymethyl)imidazole?
The InChIKey is KTGDLEWPXDNGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2O/c1-2-19-10-14-17-6-8-18(14)7-5-11-9-12(16)3-4-13(11)15/h3-4,6,8-9H,2,5,7,10H2,1H3.
What are the key properties of 1-[2-(2-bromo-5-fluorophenyl)ethyl]-2-(ethoxymethyl)imidazole?
1-[2-(2-bromo-5-fluorophenyl)ethyl]-2-(ethoxymethyl)imidazole has a molecular weight of 327.20 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromo-5-fluorophenyl)ethyl]-2-(ethoxymethyl)imidazole is sourced from PubChem (CID 167960468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).