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

C15H25F3N2 — CID 22891093

IUPAC1-methyl-5-(5-methylhexyl)-2-propan-2-yl-4-(trifluoromethyl)imidazole
SMILESCC(C)CCCCc1c(C(F)(F)F)nc(C(C)C)n1C
InChIInChI=1S/C15H25F3N2/c1-10(2)8-6-7-9-12-13(15(16,17)18)19-14(11(3)4)20(12)5/h10-11H,6-9H2,1-5H3
InChIKeyYFLMOMINAQVJQW-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.93
Rot. Bonds6

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

1-methyl-5-(5-methylhexyl)-2-propan-2-yl-4-(trifluoromethyl)imidazole (PubChem CID 22891093) has the molecular formula C15H25F3N2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-methyl-5-(5-methylhexyl)-2-propan-2-yl-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name1-methyl-5-(5-methylhexyl)-2-propan-2-yl-4-(trifluoromethyl)imidazole
PubChem CID22891093
Molecular FormulaC15H25F3N2
Molecular Weight290.37 g/mol
Exact Mass290.20
IUPAC Name1-methyl-5-(5-methylhexyl)-2-propan-2-yl-4-(trifluoromethyl)imidazole
SMILESCC(C)CCCCc1c(C(F)(F)F)nc(C(C)C)n1C
InChIInChI=1S/C15H25F3N2/c1-10(2)8-6-7-9-12-13(15(16,17)18)19-14(11(3)4)20(12)5/h10-11H,6-9H2,1-5H3
InChIKeyYFLMOMINAQVJQW-UHFFFAOYSA-N
XLogP4.93
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(5-methylhexyl)-2-propan-2-yl-4-(trifluoromethyl)imidazole?
The IUPAC name of 1-methyl-5-(5-methylhexyl)-2-propan-2-yl-4-(trifluoromethyl)imidazole (CID 22891093) is 1-methyl-5-(5-methylhexyl)-2-propan-2-yl-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 1-methyl-5-(5-methylhexyl)-2-propan-2-yl-4-(trifluoromethyl)imidazole?
The canonical SMILES for 1-methyl-5-(5-methylhexyl)-2-propan-2-yl-4-(trifluoromethyl)imidazole is CC(C)CCCCc1c(C(F)(F)F)nc(C(C)C)n1C.
What is the InChIKey of 1-methyl-5-(5-methylhexyl)-2-propan-2-yl-4-(trifluoromethyl)imidazole?
The InChIKey is YFLMOMINAQVJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2/c1-10(2)8-6-7-9-12-13(15(16,17)18)19-14(11(3)4)20(12)5/h10-11H,6-9H2,1-5H3.
What are the key properties of 1-methyl-5-(5-methylhexyl)-2-propan-2-yl-4-(trifluoromethyl)imidazole?
1-methyl-5-(5-methylhexyl)-2-propan-2-yl-4-(trifluoromethyl)imidazole has a molecular weight of 290.37 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(5-methylhexyl)-2-propan-2-yl-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 22891093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).