5-methyl-2,4-bis(trifluoromethyl)-1H-imidazole

C6H4F6N2 — CID 612777

IUPAC5-methyl-2,4-bis(trifluoromethyl)-1H-imidazole
SMILESCc1[nH]c(C(F)(F)F)nc1C(F)(F)F
InChIInChI=1S/C6H4F6N2/c1-2-3(5(7,8)9)14-4(13-2)6(10,11)12/h1H3,(H,13,14)
InChIKeyIQRBZDVCYGDYOX-UHFFFAOYSA-N
MW218.10 g/mol
LogP2.76
Rot. Bonds

About 5-methyl-2,4-bis(trifluoromethyl)-1H-imidazole

5-methyl-2,4-bis(trifluoromethyl)-1H-imidazole (PubChem CID 612777) has the molecular formula C6H4F6N2 and a molecular weight of 218.10 g/mol. Its IUPAC name is 5-methyl-2,4-bis(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name5-methyl-2,4-bis(trifluoromethyl)-1H-imidazole
PubChem CID612777
Molecular FormulaC6H4F6N2
Molecular Weight218.10 g/mol
Exact Mass218.03
IUPAC Name5-methyl-2,4-bis(trifluoromethyl)-1H-imidazole
SMILESCc1[nH]c(C(F)(F)F)nc1C(F)(F)F
InChIInChI=1S/C6H4F6N2/c1-2-3(5(7,8)9)14-4(13-2)6(10,11)12/h1H3,(H,13,14)
InChIKeyIQRBZDVCYGDYOX-UHFFFAOYSA-N
XLogP2.76
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.10
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,4-bis(trifluoromethyl)-1H-imidazole?
The IUPAC name of 5-methyl-2,4-bis(trifluoromethyl)-1H-imidazole (CID 612777) is 5-methyl-2,4-bis(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 5-methyl-2,4-bis(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 5-methyl-2,4-bis(trifluoromethyl)-1H-imidazole is Cc1[nH]c(C(F)(F)F)nc1C(F)(F)F.
What is the InChIKey of 5-methyl-2,4-bis(trifluoromethyl)-1H-imidazole?
The InChIKey is IQRBZDVCYGDYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F6N2/c1-2-3(5(7,8)9)14-4(13-2)6(10,11)12/h1H3,(H,13,14).
What are the key properties of 5-methyl-2,4-bis(trifluoromethyl)-1H-imidazole?
5-methyl-2,4-bis(trifluoromethyl)-1H-imidazole has a molecular weight of 218.10 g/mol, XLogP of 2.76, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,4-bis(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 612777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).