1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-2,2,2-trifluoroethanol

C14H14ClF3N2O — CID 135388186

IUPAC1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-2,2,2-trifluoroethanol
SMILESOC(c1nccn1CCCc1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C14H14ClF3N2O/c15-11-5-3-10(4-6-11)2-1-8-20-9-7-19-13(20)12(21)14(16,17)18/h3-7,9,12,21H,1-2,8H2
InChIKeyDFOSQRMXZBWGKZ-UHFFFAOYSA-N
MW318.73 g/mol
LogP3.77
Rot. Bonds5

About 1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-2,2,2-trifluoroethanol

1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-2,2,2-trifluoroethanol (PubChem CID 135388186) has the molecular formula C14H14ClF3N2O and a molecular weight of 318.73 g/mol. Its IUPAC name is 1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-2,2,2-trifluoroethanol
PubChem CID135388186
Molecular FormulaC14H14ClF3N2O
Molecular Weight318.73 g/mol
Exact Mass318.07
IUPAC Name1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-2,2,2-trifluoroethanol
SMILESOC(c1nccn1CCCc1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C14H14ClF3N2O/c15-11-5-3-10(4-6-11)2-1-8-20-9-7-19-13(20)12(21)14(16,17)18/h3-7,9,12,21H,1-2,8H2
InChIKeyDFOSQRMXZBWGKZ-UHFFFAOYSA-N
XLogP3.77
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.73
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-2,2,2-trifluoroethanol?
The IUPAC name of 1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-2,2,2-trifluoroethanol (CID 135388186) is 1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-2,2,2-trifluoroethanol?
The canonical SMILES for 1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-2,2,2-trifluoroethanol is OC(c1nccn1CCCc1ccc(Cl)cc1)C(F)(F)F.
What is the InChIKey of 1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-2,2,2-trifluoroethanol?
The InChIKey is DFOSQRMXZBWGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N2O/c15-11-5-3-10(4-6-11)2-1-8-20-9-7-19-13(20)12(21)14(16,17)18/h3-7,9,12,21H,1-2,8H2.
What are the key properties of 1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-2,2,2-trifluoroethanol?
1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-2,2,2-trifluoroethanol has a molecular weight of 318.73 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-2,2,2-trifluoroethanol is sourced from PubChem (CID 135388186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).