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

C11H9BrF2N2 — CID 129139559

IUPAC2-(4-bromophenyl)-4-(difluoromethyl)-1-methylimidazole
SMILESCn1cc(C(F)F)nc1-c1ccc(Br)cc1
InChIInChI=1S/C11H9BrF2N2/c1-16-6-9(10(13)14)15-11(16)7-2-4-8(12)5-3-7/h2-6,10H,1H3
InChIKeyPLGXSGMPTORJLO-UHFFFAOYSA-N
MW287.11 g/mol
LogP3.79
Rot. Bonds2

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

2-(4-bromophenyl)-4-(difluoromethyl)-1-methylimidazole (PubChem CID 129139559) has the molecular formula C11H9BrF2N2 and a molecular weight of 287.11 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-(difluoromethyl)-1-methylimidazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-(difluoromethyl)-1-methylimidazole
PubChem CID129139559
Molecular FormulaC11H9BrF2N2
Molecular Weight287.11 g/mol
Exact Mass285.99
IUPAC Name2-(4-bromophenyl)-4-(difluoromethyl)-1-methylimidazole
SMILESCn1cc(C(F)F)nc1-c1ccc(Br)cc1
InChIInChI=1S/C11H9BrF2N2/c1-16-6-9(10(13)14)15-11(16)7-2-4-8(12)5-3-7/h2-6,10H,1H3
InChIKeyPLGXSGMPTORJLO-UHFFFAOYSA-N
XLogP3.79
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-(difluoromethyl)-1-methylimidazole?
The IUPAC name of 2-(4-bromophenyl)-4-(difluoromethyl)-1-methylimidazole (CID 129139559) is 2-(4-bromophenyl)-4-(difluoromethyl)-1-methylimidazole.
What is the SMILES notation for 2-(4-bromophenyl)-4-(difluoromethyl)-1-methylimidazole?
The canonical SMILES for 2-(4-bromophenyl)-4-(difluoromethyl)-1-methylimidazole is Cn1cc(C(F)F)nc1-c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-4-(difluoromethyl)-1-methylimidazole?
The InChIKey is PLGXSGMPTORJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF2N2/c1-16-6-9(10(13)14)15-11(16)7-2-4-8(12)5-3-7/h2-6,10H,1H3.
What are the key properties of 2-(4-bromophenyl)-4-(difluoromethyl)-1-methylimidazole?
2-(4-bromophenyl)-4-(difluoromethyl)-1-methylimidazole has a molecular weight of 287.11 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-(difluoromethyl)-1-methylimidazole is sourced from PubChem (CID 129139559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).