5-[2-(trifluoromethyl)benzimidazol-1-yl]pentan-1-ol

C13H15F3N2O — CID 111469972

IUPAC5-[2-(trifluoromethyl)benzimidazol-1-yl]pentan-1-ol
SMILESOCCCCCn1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C13H15F3N2O/c14-13(15,16)12-17-10-6-2-3-7-11(10)18(12)8-4-1-5-9-19/h2-3,6-7,19H,1,4-5,8-9H2
InChIKeyXMRSGGZNHAGXDJ-UHFFFAOYSA-N
MW272.27 g/mol
LogP3.22
Rot. Bonds5

About 5-[2-(trifluoromethyl)benzimidazol-1-yl]pentan-1-ol

5-[2-(trifluoromethyl)benzimidazol-1-yl]pentan-1-ol (PubChem CID 111469972) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is 5-[2-(trifluoromethyl)benzimidazol-1-yl]pentan-1-ol.

Molecular Properties

Compound Name5-[2-(trifluoromethyl)benzimidazol-1-yl]pentan-1-ol
PubChem CID111469972
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name5-[2-(trifluoromethyl)benzimidazol-1-yl]pentan-1-ol
SMILESOCCCCCn1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C13H15F3N2O/c14-13(15,16)12-17-10-6-2-3-7-11(10)18(12)8-4-1-5-9-19/h2-3,6-7,19H,1,4-5,8-9H2
InChIKeyXMRSGGZNHAGXDJ-UHFFFAOYSA-N
XLogP3.22
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[2-(trifluoromethyl)benzimidazol-1-yl]pentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(trifluoromethyl)benzimidazol-1-yl]pentan-1-ol?
The IUPAC name of 5-[2-(trifluoromethyl)benzimidazol-1-yl]pentan-1-ol (CID 111469972) is 5-[2-(trifluoromethyl)benzimidazol-1-yl]pentan-1-ol.
What is the SMILES notation for 5-[2-(trifluoromethyl)benzimidazol-1-yl]pentan-1-ol?
The canonical SMILES for 5-[2-(trifluoromethyl)benzimidazol-1-yl]pentan-1-ol is OCCCCCn1c(C(F)(F)F)nc2ccccc21.
What is the InChIKey of 5-[2-(trifluoromethyl)benzimidazol-1-yl]pentan-1-ol?
The InChIKey is XMRSGGZNHAGXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c14-13(15,16)12-17-10-6-2-3-7-11(10)18(12)8-4-1-5-9-19/h2-3,6-7,19H,1,4-5,8-9H2.
What are the key properties of 5-[2-(trifluoromethyl)benzimidazol-1-yl]pentan-1-ol?
5-[2-(trifluoromethyl)benzimidazol-1-yl]pentan-1-ol has a molecular weight of 272.27 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(trifluoromethyl)benzimidazol-1-yl]pentan-1-ol is sourced from PubChem (CID 111469972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).