2-[2-[4-(trifluoromethyl)phenyl]propyl]-2,3-dihydro-1H-imidazole

C13H15F3N2 — CID 177016254

IUPAC2-[2-[4-(trifluoromethyl)phenyl]propyl]-2,3-dihydro-1H-imidazole
SMILESCC(CC1NC=CN1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H15F3N2/c1-9(8-12-17-6-7-18-12)10-2-4-11(5-3-10)13(14,15)16/h2-7,9,12,17-18H,8H2,1H3
InChIKeyILOZZTZJRLNCGB-UHFFFAOYSA-N
MW256.27 g/mol
LogP3.19
Rot. Bonds3

About 2-[2-[4-(trifluoromethyl)phenyl]propyl]-2,3-dihydro-1H-imidazole

2-[2-[4-(trifluoromethyl)phenyl]propyl]-2,3-dihydro-1H-imidazole (PubChem CID 177016254) has the molecular formula C13H15F3N2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 2-[2-[4-(trifluoromethyl)phenyl]propyl]-2,3-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[2-[4-(trifluoromethyl)phenyl]propyl]-2,3-dihydro-1H-imidazole
PubChem CID177016254
Molecular FormulaC13H15F3N2
Molecular Weight256.27 g/mol
Exact Mass256.12
IUPAC Name2-[2-[4-(trifluoromethyl)phenyl]propyl]-2,3-dihydro-1H-imidazole
SMILESCC(CC1NC=CN1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H15F3N2/c1-9(8-12-17-6-7-18-12)10-2-4-11(5-3-10)13(14,15)16/h2-7,9,12,17-18H,8H2,1H3
InChIKeyILOZZTZJRLNCGB-UHFFFAOYSA-N
XLogP3.19
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(trifluoromethyl)phenyl]propyl]-2,3-dihydro-1H-imidazole?
The IUPAC name of 2-[2-[4-(trifluoromethyl)phenyl]propyl]-2,3-dihydro-1H-imidazole (CID 177016254) is 2-[2-[4-(trifluoromethyl)phenyl]propyl]-2,3-dihydro-1H-imidazole.
What is the SMILES notation for 2-[2-[4-(trifluoromethyl)phenyl]propyl]-2,3-dihydro-1H-imidazole?
The canonical SMILES for 2-[2-[4-(trifluoromethyl)phenyl]propyl]-2,3-dihydro-1H-imidazole is CC(CC1NC=CN1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[2-[4-(trifluoromethyl)phenyl]propyl]-2,3-dihydro-1H-imidazole?
The InChIKey is ILOZZTZJRLNCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2/c1-9(8-12-17-6-7-18-12)10-2-4-11(5-3-10)13(14,15)16/h2-7,9,12,17-18H,8H2,1H3.
What are the key properties of 2-[2-[4-(trifluoromethyl)phenyl]propyl]-2,3-dihydro-1H-imidazole?
2-[2-[4-(trifluoromethyl)phenyl]propyl]-2,3-dihydro-1H-imidazole has a molecular weight of 256.27 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(trifluoromethyl)phenyl]propyl]-2,3-dihydro-1H-imidazole is sourced from PubChem (CID 177016254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).