1-(4-bromo-3-fluorophenyl)-4-(4-fluorophenyl)-3-methyl-2H-imidazole

C16H13BrF2N2 — CID 174913580

IUPAC1-(4-bromo-3-fluorophenyl)-4-(4-fluorophenyl)-3-methyl-2H-imidazole
SMILESCN1CN(c2ccc(Br)c(F)c2)C=C1c1ccc(F)cc1
InChIInChI=1S/C16H13BrF2N2/c1-20-10-21(13-6-7-14(17)15(19)8-13)9-16(20)11-2-4-12(18)5-3-11/h2-9H,10H2,1H3
InChIKeyFGWAXWGSEREZEN-UHFFFAOYSA-N
MW351.19 g/mol
LogP4.44
Rot. Bonds2

About 1-(4-bromo-3-fluorophenyl)-4-(4-fluorophenyl)-3-methyl-2H-imidazole

1-(4-bromo-3-fluorophenyl)-4-(4-fluorophenyl)-3-methyl-2H-imidazole (PubChem CID 174913580) has the molecular formula C16H13BrF2N2 and a molecular weight of 351.19 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-4-(4-fluorophenyl)-3-methyl-2H-imidazole.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-4-(4-fluorophenyl)-3-methyl-2H-imidazole
PubChem CID174913580
Molecular FormulaC16H13BrF2N2
Molecular Weight351.19 g/mol
Exact Mass350.02
IUPAC Name1-(4-bromo-3-fluorophenyl)-4-(4-fluorophenyl)-3-methyl-2H-imidazole
SMILESCN1CN(c2ccc(Br)c(F)c2)C=C1c1ccc(F)cc1
InChIInChI=1S/C16H13BrF2N2/c1-20-10-21(13-6-7-14(17)15(19)8-13)9-16(20)11-2-4-12(18)5-3-11/h2-9H,10H2,1H3
InChIKeyFGWAXWGSEREZEN-UHFFFAOYSA-N
XLogP4.44
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-4-(4-fluorophenyl)-3-methyl-2H-imidazole?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-4-(4-fluorophenyl)-3-methyl-2H-imidazole (CID 174913580) is 1-(4-bromo-3-fluorophenyl)-4-(4-fluorophenyl)-3-methyl-2H-imidazole.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-4-(4-fluorophenyl)-3-methyl-2H-imidazole?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-4-(4-fluorophenyl)-3-methyl-2H-imidazole is CN1CN(c2ccc(Br)c(F)c2)C=C1c1ccc(F)cc1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-4-(4-fluorophenyl)-3-methyl-2H-imidazole?
The InChIKey is FGWAXWGSEREZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrF2N2/c1-20-10-21(13-6-7-14(17)15(19)8-13)9-16(20)11-2-4-12(18)5-3-11/h2-9H,10H2,1H3.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-4-(4-fluorophenyl)-3-methyl-2H-imidazole?
1-(4-bromo-3-fluorophenyl)-4-(4-fluorophenyl)-3-methyl-2H-imidazole has a molecular weight of 351.19 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)-4-(4-fluorophenyl)-3-methyl-2H-imidazole is sourced from PubChem (CID 174913580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).