1-(4-bromo-2-fluorophenyl)-4-cyclopropylimidazole

C12H10BrFN2 — CID 168993364

IUPAC1-(4-bromo-2-fluorophenyl)-4-cyclopropylimidazole
SMILESFc1cc(Br)ccc1-n1cnc(C2CC2)c1
InChIInChI=1S/C12H10BrFN2/c13-9-3-4-12(10(14)5-9)16-6-11(15-7-16)8-1-2-8/h3-8H,1-2H2
InChIKeyMDJHNCZDLKHQKC-UHFFFAOYSA-N
MW281.13 g/mol
LogP3.65
Rot. Bonds2

About 1-(4-bromo-2-fluorophenyl)-4-cyclopropylimidazole

1-(4-bromo-2-fluorophenyl)-4-cyclopropylimidazole (PubChem CID 168993364) has the molecular formula C12H10BrFN2 and a molecular weight of 281.13 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-4-cyclopropylimidazole.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-4-cyclopropylimidazole
PubChem CID168993364
Molecular FormulaC12H10BrFN2
Molecular Weight281.13 g/mol
Exact Mass280.00
IUPAC Name1-(4-bromo-2-fluorophenyl)-4-cyclopropylimidazole
SMILESFc1cc(Br)ccc1-n1cnc(C2CC2)c1
InChIInChI=1S/C12H10BrFN2/c13-9-3-4-12(10(14)5-9)16-6-11(15-7-16)8-1-2-8/h3-8H,1-2H2
InChIKeyMDJHNCZDLKHQKC-UHFFFAOYSA-N
XLogP3.65
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.13
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-2-fluorophenyl)-4-cyclopropylimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-4-cyclopropylimidazole?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-4-cyclopropylimidazole (CID 168993364) is 1-(4-bromo-2-fluorophenyl)-4-cyclopropylimidazole.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-4-cyclopropylimidazole?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-4-cyclopropylimidazole is Fc1cc(Br)ccc1-n1cnc(C2CC2)c1.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-4-cyclopropylimidazole?
The InChIKey is MDJHNCZDLKHQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2/c13-9-3-4-12(10(14)5-9)16-6-11(15-7-16)8-1-2-8/h3-8H,1-2H2.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-4-cyclopropylimidazole?
1-(4-bromo-2-fluorophenyl)-4-cyclopropylimidazole has a molecular weight of 281.13 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-4-cyclopropylimidazole is sourced from PubChem (CID 168993364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).