4-bromo-1-(difluoromethyl)-2-methylimidazole

C5H5BrF2N2 — CID 154814504

IUPAC4-bromo-1-(difluoromethyl)-2-methylimidazole
SMILESCc1nc(Br)cn1C(F)F
InChIInChI=1S/C5H5BrF2N2/c1-3-9-4(6)2-10(3)5(7)8/h2,5H,1H3
InChIKeyBNBIYIQWSJZWMN-UHFFFAOYSA-N
MW211.01 g/mol
LogP2.35
Rot. Bonds1

About 4-bromo-1-(difluoromethyl)-2-methylimidazole

4-bromo-1-(difluoromethyl)-2-methylimidazole (PubChem CID 154814504) has the molecular formula C5H5BrF2N2 and a molecular weight of 211.01 g/mol. Its IUPAC name is 4-bromo-1-(difluoromethyl)-2-methylimidazole.

Molecular Properties

Compound Name4-bromo-1-(difluoromethyl)-2-methylimidazole
PubChem CID154814504
Molecular FormulaC5H5BrF2N2
Molecular Weight211.01 g/mol
Exact Mass209.96
IUPAC Name4-bromo-1-(difluoromethyl)-2-methylimidazole
SMILESCc1nc(Br)cn1C(F)F
InChIInChI=1S/C5H5BrF2N2/c1-3-9-4(6)2-10(3)5(7)8/h2,5H,1H3
InChIKeyBNBIYIQWSJZWMN-UHFFFAOYSA-N
XLogP2.35
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.01
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-bromo-1-(difluoromethyl)-2-methylimidazole 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 4-bromo-1-(difluoromethyl)-2-methylimidazole?
The IUPAC name of 4-bromo-1-(difluoromethyl)-2-methylimidazole (CID 154814504) is 4-bromo-1-(difluoromethyl)-2-methylimidazole.
What is the SMILES notation for 4-bromo-1-(difluoromethyl)-2-methylimidazole?
The canonical SMILES for 4-bromo-1-(difluoromethyl)-2-methylimidazole is Cc1nc(Br)cn1C(F)F.
What is the InChIKey of 4-bromo-1-(difluoromethyl)-2-methylimidazole?
The InChIKey is BNBIYIQWSJZWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrF2N2/c1-3-9-4(6)2-10(3)5(7)8/h2,5H,1H3.
What are the key properties of 4-bromo-1-(difluoromethyl)-2-methylimidazole?
4-bromo-1-(difluoromethyl)-2-methylimidazole has a molecular weight of 211.01 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(difluoromethyl)-2-methylimidazole is sourced from PubChem (CID 154814504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).