2-methyl-5-(3,3,3-trifluoropropyl)-1H-imidazole

C7H9F3N2 — CID 173264408

IUPAC2-methyl-5-(3,3,3-trifluoropropyl)-1H-imidazole
SMILESCc1ncc(CCC(F)(F)F)[nH]1
InChIInChI=1S/C7H9F3N2/c1-5-11-4-6(12-5)2-3-7(8,9)10/h4H,2-3H2,1H3,(H,11,12)
InChIKeyZFQPPTBAWMRBEP-UHFFFAOYSA-N
MW178.16 g/mol
LogP2.21
Rot. Bonds2

About 2-methyl-5-(3,3,3-trifluoropropyl)-1H-imidazole

2-methyl-5-(3,3,3-trifluoropropyl)-1H-imidazole (PubChem CID 173264408) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is 2-methyl-5-(3,3,3-trifluoropropyl)-1H-imidazole.

Molecular Properties

Compound Name2-methyl-5-(3,3,3-trifluoropropyl)-1H-imidazole
PubChem CID173264408
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name2-methyl-5-(3,3,3-trifluoropropyl)-1H-imidazole
SMILESCc1ncc(CCC(F)(F)F)[nH]1
InChIInChI=1S/C7H9F3N2/c1-5-11-4-6(12-5)2-3-7(8,9)10/h4H,2-3H2,1H3,(H,11,12)
InChIKeyZFQPPTBAWMRBEP-UHFFFAOYSA-N
XLogP2.21
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3,3,3-trifluoropropyl)-1H-imidazole?
The IUPAC name of 2-methyl-5-(3,3,3-trifluoropropyl)-1H-imidazole (CID 173264408) is 2-methyl-5-(3,3,3-trifluoropropyl)-1H-imidazole.
What is the SMILES notation for 2-methyl-5-(3,3,3-trifluoropropyl)-1H-imidazole?
The canonical SMILES for 2-methyl-5-(3,3,3-trifluoropropyl)-1H-imidazole is Cc1ncc(CCC(F)(F)F)[nH]1.
What is the InChIKey of 2-methyl-5-(3,3,3-trifluoropropyl)-1H-imidazole?
The InChIKey is ZFQPPTBAWMRBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2/c1-5-11-4-6(12-5)2-3-7(8,9)10/h4H,2-3H2,1H3,(H,11,12).
What are the key properties of 2-methyl-5-(3,3,3-trifluoropropyl)-1H-imidazole?
2-methyl-5-(3,3,3-trifluoropropyl)-1H-imidazole has a molecular weight of 178.16 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3,3,3-trifluoropropyl)-1H-imidazole is sourced from PubChem (CID 173264408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).