2-methyl-1,4-di(propan-2-yl)-5-(trifluoromethyl)imidazole

C11H17F3N2 — CID 146185981

IUPAC2-methyl-1,4-di(propan-2-yl)-5-(trifluoromethyl)imidazole
SMILESCc1nc(C(C)C)c(C(F)(F)F)n1C(C)C
InChIInChI=1S/C11H17F3N2/c1-6(2)9-10(11(12,13)14)16(7(3)4)8(5)15-9/h6-7H,1-5H3
InChIKeyCWBDKPUQEHENGB-UHFFFAOYSA-N
MW234.26 g/mol
LogP3.91
Rot. Bonds2

About 2-methyl-1,4-di(propan-2-yl)-5-(trifluoromethyl)imidazole

2-methyl-1,4-di(propan-2-yl)-5-(trifluoromethyl)imidazole (PubChem CID 146185981) has the molecular formula C11H17F3N2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-methyl-1,4-di(propan-2-yl)-5-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name2-methyl-1,4-di(propan-2-yl)-5-(trifluoromethyl)imidazole
PubChem CID146185981
Molecular FormulaC11H17F3N2
Molecular Weight234.26 g/mol
Exact Mass234.13
IUPAC Name2-methyl-1,4-di(propan-2-yl)-5-(trifluoromethyl)imidazole
SMILESCc1nc(C(C)C)c(C(F)(F)F)n1C(C)C
InChIInChI=1S/C11H17F3N2/c1-6(2)9-10(11(12,13)14)16(7(3)4)8(5)15-9/h6-7H,1-5H3
InChIKeyCWBDKPUQEHENGB-UHFFFAOYSA-N
XLogP3.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,4-di(propan-2-yl)-5-(trifluoromethyl)imidazole?
The IUPAC name of 2-methyl-1,4-di(propan-2-yl)-5-(trifluoromethyl)imidazole (CID 146185981) is 2-methyl-1,4-di(propan-2-yl)-5-(trifluoromethyl)imidazole.
What is the SMILES notation for 2-methyl-1,4-di(propan-2-yl)-5-(trifluoromethyl)imidazole?
The canonical SMILES for 2-methyl-1,4-di(propan-2-yl)-5-(trifluoromethyl)imidazole is Cc1nc(C(C)C)c(C(F)(F)F)n1C(C)C.
What is the InChIKey of 2-methyl-1,4-di(propan-2-yl)-5-(trifluoromethyl)imidazole?
The InChIKey is CWBDKPUQEHENGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2/c1-6(2)9-10(11(12,13)14)16(7(3)4)8(5)15-9/h6-7H,1-5H3.
What are the key properties of 2-methyl-1,4-di(propan-2-yl)-5-(trifluoromethyl)imidazole?
2-methyl-1,4-di(propan-2-yl)-5-(trifluoromethyl)imidazole has a molecular weight of 234.26 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,4-di(propan-2-yl)-5-(trifluoromethyl)imidazole is sourced from PubChem (CID 146185981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).