5-bromo-4-(4-fluorophenyl)-2-(2-methoxyethyl)-1-(methoxymethyl)imidazole

C14H16BrFN2O2 — CID 154633135

IUPAC5-bromo-4-(4-fluorophenyl)-2-(2-methoxyethyl)-1-(methoxymethyl)imidazole
SMILESCOCCc1nc(-c2ccc(F)cc2)c(Br)n1COC
InChIInChI=1S/C14H16BrFN2O2/c1-19-8-7-12-17-13(14(15)18(12)9-20-2)10-3-5-11(16)6-4-10/h3-6H,7-9H2,1-2H3
InChIKeySNMWXXKPCLIAIS-UHFFFAOYSA-N
MW343.20 g/mol
LogP3.24
Rot. Bonds6

About 5-bromo-4-(4-fluorophenyl)-2-(2-methoxyethyl)-1-(methoxymethyl)imidazole

5-bromo-4-(4-fluorophenyl)-2-(2-methoxyethyl)-1-(methoxymethyl)imidazole (PubChem CID 154633135) has the molecular formula C14H16BrFN2O2 and a molecular weight of 343.20 g/mol. Its IUPAC name is 5-bromo-4-(4-fluorophenyl)-2-(2-methoxyethyl)-1-(methoxymethyl)imidazole.

Molecular Properties

Compound Name5-bromo-4-(4-fluorophenyl)-2-(2-methoxyethyl)-1-(methoxymethyl)imidazole
PubChem CID154633135
Molecular FormulaC14H16BrFN2O2
Molecular Weight343.20 g/mol
Exact Mass342.04
IUPAC Name5-bromo-4-(4-fluorophenyl)-2-(2-methoxyethyl)-1-(methoxymethyl)imidazole
SMILESCOCCc1nc(-c2ccc(F)cc2)c(Br)n1COC
InChIInChI=1S/C14H16BrFN2O2/c1-19-8-7-12-17-13(14(15)18(12)9-20-2)10-3-5-11(16)6-4-10/h3-6H,7-9H2,1-2H3
InChIKeySNMWXXKPCLIAIS-UHFFFAOYSA-N
XLogP3.24
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.20
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(4-fluorophenyl)-2-(2-methoxyethyl)-1-(methoxymethyl)imidazole?
The IUPAC name of 5-bromo-4-(4-fluorophenyl)-2-(2-methoxyethyl)-1-(methoxymethyl)imidazole (CID 154633135) is 5-bromo-4-(4-fluorophenyl)-2-(2-methoxyethyl)-1-(methoxymethyl)imidazole.
What is the SMILES notation for 5-bromo-4-(4-fluorophenyl)-2-(2-methoxyethyl)-1-(methoxymethyl)imidazole?
The canonical SMILES for 5-bromo-4-(4-fluorophenyl)-2-(2-methoxyethyl)-1-(methoxymethyl)imidazole is COCCc1nc(-c2ccc(F)cc2)c(Br)n1COC.
What is the InChIKey of 5-bromo-4-(4-fluorophenyl)-2-(2-methoxyethyl)-1-(methoxymethyl)imidazole?
The InChIKey is SNMWXXKPCLIAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2O2/c1-19-8-7-12-17-13(14(15)18(12)9-20-2)10-3-5-11(16)6-4-10/h3-6H,7-9H2,1-2H3.
What are the key properties of 5-bromo-4-(4-fluorophenyl)-2-(2-methoxyethyl)-1-(methoxymethyl)imidazole?
5-bromo-4-(4-fluorophenyl)-2-(2-methoxyethyl)-1-(methoxymethyl)imidazole has a molecular weight of 343.20 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(4-fluorophenyl)-2-(2-methoxyethyl)-1-(methoxymethyl)imidazole is sourced from PubChem (CID 154633135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).