4-(trifluoromethyl)-2-[5-(trifluoromethyl)-2,3-dihydrobenzimidazol-1-yl]phenol

C15H10F6N2O — CID 52948538

IUPAC4-(trifluoromethyl)-2-[5-(trifluoromethyl)-2,3-dihydrobenzimidazol-1-yl]phenol
SMILESOc1ccc(C(F)(F)F)cc1N1CNc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C15H10F6N2O/c16-14(17,18)8-1-3-11-10(5-8)22-7-23(11)12-6-9(15(19,20)21)2-4-13(12)24/h1-6,22,24H,7H2
InChIKeyQVZVEEALAXDABJ-UHFFFAOYSA-N
MW348.25 g/mol
LogP4.95
Rot. Bonds1

About 4-(trifluoromethyl)-2-[5-(trifluoromethyl)-2,3-dihydrobenzimidazol-1-yl]phenol

4-(trifluoromethyl)-2-[5-(trifluoromethyl)-2,3-dihydrobenzimidazol-1-yl]phenol (PubChem CID 52948538) has the molecular formula C15H10F6N2O and a molecular weight of 348.25 g/mol. Its IUPAC name is 4-(trifluoromethyl)-2-[5-(trifluoromethyl)-2,3-dihydrobenzimidazol-1-yl]phenol.

Molecular Properties

Compound Name4-(trifluoromethyl)-2-[5-(trifluoromethyl)-2,3-dihydrobenzimidazol-1-yl]phenol
PubChem CID52948538
Molecular FormulaC15H10F6N2O
Molecular Weight348.25 g/mol
Exact Mass348.07
IUPAC Name4-(trifluoromethyl)-2-[5-(trifluoromethyl)-2,3-dihydrobenzimidazol-1-yl]phenol
SMILESOc1ccc(C(F)(F)F)cc1N1CNc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C15H10F6N2O/c16-14(17,18)8-1-3-11-10(5-8)22-7-23(11)12-6-9(15(19,20)21)2-4-13(12)24/h1-6,22,24H,7H2
InChIKeyQVZVEEALAXDABJ-UHFFFAOYSA-N
XLogP4.95
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.25
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(trifluoromethyl)-2-[5-(trifluoromethyl)-2,3-dihydrobenzimidazol-1-yl]phenol 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 4-(trifluoromethyl)-2-[5-(trifluoromethyl)-2,3-dihydrobenzimidazol-1-yl]phenol?
The IUPAC name of 4-(trifluoromethyl)-2-[5-(trifluoromethyl)-2,3-dihydrobenzimidazol-1-yl]phenol (CID 52948538) is 4-(trifluoromethyl)-2-[5-(trifluoromethyl)-2,3-dihydrobenzimidazol-1-yl]phenol.
What is the SMILES notation for 4-(trifluoromethyl)-2-[5-(trifluoromethyl)-2,3-dihydrobenzimidazol-1-yl]phenol?
The canonical SMILES for 4-(trifluoromethyl)-2-[5-(trifluoromethyl)-2,3-dihydrobenzimidazol-1-yl]phenol is Oc1ccc(C(F)(F)F)cc1N1CNc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 4-(trifluoromethyl)-2-[5-(trifluoromethyl)-2,3-dihydrobenzimidazol-1-yl]phenol?
The InChIKey is QVZVEEALAXDABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F6N2O/c16-14(17,18)8-1-3-11-10(5-8)22-7-23(11)12-6-9(15(19,20)21)2-4-13(12)24/h1-6,22,24H,7H2.
What are the key properties of 4-(trifluoromethyl)-2-[5-(trifluoromethyl)-2,3-dihydrobenzimidazol-1-yl]phenol?
4-(trifluoromethyl)-2-[5-(trifluoromethyl)-2,3-dihydrobenzimidazol-1-yl]phenol has a molecular weight of 348.25 g/mol, XLogP of 4.95, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-2-[5-(trifluoromethyl)-2,3-dihydrobenzimidazol-1-yl]phenol is sourced from PubChem (CID 52948538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).