4-methyl-1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]imidazole

C14H15F3N2O — CID 59502215

IUPAC4-methyl-1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]imidazole
SMILESCc1cn(-c2ccc(C(C)C)cc2OC(F)(F)F)cn1
InChIInChI=1S/C14H15F3N2O/c1-9(2)11-4-5-12(19-7-10(3)18-8-19)13(6-11)20-14(15,16)17/h4-9H,1-3H3
InChIKeyPPDONFXDZFAPDO-UHFFFAOYSA-N
MW284.28 g/mol
LogP4.20
Rot. Bonds3

About 4-methyl-1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]imidazole

4-methyl-1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]imidazole (PubChem CID 59502215) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is 4-methyl-1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]imidazole.

Molecular Properties

Compound Name4-methyl-1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]imidazole
PubChem CID59502215
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name4-methyl-1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]imidazole
SMILESCc1cn(-c2ccc(C(C)C)cc2OC(F)(F)F)cn1
InChIInChI=1S/C14H15F3N2O/c1-9(2)11-4-5-12(19-7-10(3)18-8-19)13(6-11)20-14(15,16)17/h4-9H,1-3H3
InChIKeyPPDONFXDZFAPDO-UHFFFAOYSA-N
XLogP4.20
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]imidazole?
The IUPAC name of 4-methyl-1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]imidazole (CID 59502215) is 4-methyl-1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]imidazole.
What is the SMILES notation for 4-methyl-1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]imidazole?
The canonical SMILES for 4-methyl-1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]imidazole is Cc1cn(-c2ccc(C(C)C)cc2OC(F)(F)F)cn1.
What is the InChIKey of 4-methyl-1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]imidazole?
The InChIKey is PPDONFXDZFAPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c1-9(2)11-4-5-12(19-7-10(3)18-8-19)13(6-11)20-14(15,16)17/h4-9H,1-3H3.
What are the key properties of 4-methyl-1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]imidazole?
4-methyl-1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]imidazole has a molecular weight of 284.28 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]imidazole is sourced from PubChem (CID 59502215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).