5-chloro-4-(4-chlorophenyl)-1-(difluoromethyl)-2-methylimidazole

C11H8Cl2F2N2 — CID 21266811

IUPAC5-chloro-4-(4-chlorophenyl)-1-(difluoromethyl)-2-methylimidazole
SMILESCc1nc(-c2ccc(Cl)cc2)c(Cl)n1C(F)F
InChIInChI=1S/C11H8Cl2F2N2/c1-6-16-9(10(13)17(6)11(14)15)7-2-4-8(12)5-3-7/h2-5,11H,1H3
InChIKeyHFXBFZIIHSPYLD-UHFFFAOYSA-N
MW277.10 g/mol
LogP4.56
Rot. Bonds2

About 5-chloro-4-(4-chlorophenyl)-1-(difluoromethyl)-2-methylimidazole

5-chloro-4-(4-chlorophenyl)-1-(difluoromethyl)-2-methylimidazole (PubChem CID 21266811) has the molecular formula C11H8Cl2F2N2 and a molecular weight of 277.10 g/mol. Its IUPAC name is 5-chloro-4-(4-chlorophenyl)-1-(difluoromethyl)-2-methylimidazole.

Molecular Properties

Compound Name5-chloro-4-(4-chlorophenyl)-1-(difluoromethyl)-2-methylimidazole
PubChem CID21266811
Molecular FormulaC11H8Cl2F2N2
Molecular Weight277.10 g/mol
Exact Mass276.00
IUPAC Name5-chloro-4-(4-chlorophenyl)-1-(difluoromethyl)-2-methylimidazole
SMILESCc1nc(-c2ccc(Cl)cc2)c(Cl)n1C(F)F
InChIInChI=1S/C11H8Cl2F2N2/c1-6-16-9(10(13)17(6)11(14)15)7-2-4-8(12)5-3-7/h2-5,11H,1H3
InChIKeyHFXBFZIIHSPYLD-UHFFFAOYSA-N
XLogP4.56
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.10
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-chlorophenyl)-1-(difluoromethyl)-2-methylimidazole?
The IUPAC name of 5-chloro-4-(4-chlorophenyl)-1-(difluoromethyl)-2-methylimidazole (CID 21266811) is 5-chloro-4-(4-chlorophenyl)-1-(difluoromethyl)-2-methylimidazole.
What is the SMILES notation for 5-chloro-4-(4-chlorophenyl)-1-(difluoromethyl)-2-methylimidazole?
The canonical SMILES for 5-chloro-4-(4-chlorophenyl)-1-(difluoromethyl)-2-methylimidazole is Cc1nc(-c2ccc(Cl)cc2)c(Cl)n1C(F)F.
What is the InChIKey of 5-chloro-4-(4-chlorophenyl)-1-(difluoromethyl)-2-methylimidazole?
The InChIKey is HFXBFZIIHSPYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2F2N2/c1-6-16-9(10(13)17(6)11(14)15)7-2-4-8(12)5-3-7/h2-5,11H,1H3.
What are the key properties of 5-chloro-4-(4-chlorophenyl)-1-(difluoromethyl)-2-methylimidazole?
5-chloro-4-(4-chlorophenyl)-1-(difluoromethyl)-2-methylimidazole has a molecular weight of 277.10 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-chlorophenyl)-1-(difluoromethyl)-2-methylimidazole is sourced from PubChem (CID 21266811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).