3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-ol

C15H10F6N2O2 — CID 142959193

IUPAC3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-ol
SMILESOc1ccc(C(F)(F)F)cc1N1c2ccc(C(F)(F)F)cc2NC1O
InChIInChI=1S/C15H10F6N2O2/c16-14(17,18)7-1-3-10-9(5-7)22-13(25)23(10)11-6-8(15(19,20)21)2-4-12(11)24/h1-6,13,22,24-25H
InChIKeyXBNMOORKIXIFFA-UHFFFAOYSA-N
MW364.25 g/mol
LogP4.27
Rot. Bonds1

About 3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-ol

3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-ol (PubChem CID 142959193) has the molecular formula C15H10F6N2O2 and a molecular weight of 364.25 g/mol. Its IUPAC name is 3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-ol.

Molecular Properties

Compound Name3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-ol
PubChem CID142959193
Molecular FormulaC15H10F6N2O2
Molecular Weight364.25 g/mol
Exact Mass364.06
IUPAC Name3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-ol
SMILESOc1ccc(C(F)(F)F)cc1N1c2ccc(C(F)(F)F)cc2NC1O
InChIInChI=1S/C15H10F6N2O2/c16-14(17,18)7-1-3-10-9(5-7)22-13(25)23(10)11-6-8(15(19,20)21)2-4-12(11)24/h1-6,13,22,24-25H
InChIKeyXBNMOORKIXIFFA-UHFFFAOYSA-N
XLogP4.27
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.25
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

4-methyl-2-propan-2-yl-7-(trifluoromethyl)-2,3-dihydro-1H-quinoxaline
CID 84637015
1-(5-chloro-2-hydroxyphenyl)-3,4-dihydroxy-6-(trifluoromethyl)-3H-quinoxalin-2-one
CID 67784805
6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-ol
CID 23160669
2-chloro-4-(trifluoromethyl)phenol
CID 2736603
2-methyl-4-(trifluoromethyl)phenol;hydrochloride
CID 172689490
2-cyclopentyl-5-(trifluoromethyl)phenol
CID 117104152
2-cyclohexyl-5-(trifluoromethyl)phenol
CID 117104272
1-cyclopropyl-7-(trifluoromethyl)-2,3,4,5-tetrahydro-1,5-benzodiazepine
CID 115502363
2-[3-oxo-7-(trifluoromethyl)-2,4-dihydro-1H-quinoxalin-2-yl]acetic acid
CID 82184609
N-methyl-1-[3-methyl-5-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-yl]methanamine;hydrochloride
CID 142799251
cyclopropyl-[2-hydroxy-4-(trifluoromethyl)phenyl]methanone
CID 82262955
2-sulfanyl-5-(trifluoromethyl)phenol
CID 130035062

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-ol?
The IUPAC name of 3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-ol (CID 142959193) is 3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-ol.
What is the SMILES notation for 3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-ol?
The canonical SMILES for 3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-ol is Oc1ccc(C(F)(F)F)cc1N1c2ccc(C(F)(F)F)cc2NC1O.
What is the InChIKey of 3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-ol?
The InChIKey is XBNMOORKIXIFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F6N2O2/c16-14(17,18)7-1-3-10-9(5-7)22-13(25)23(10)11-6-8(15(19,20)21)2-4-12(11)24/h1-6,13,22,24-25H.
What are the key properties of 3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-ol?
3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-ol has a molecular weight of 364.25 g/mol, XLogP of 4.27, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-ol is sourced from PubChem (CID 142959193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).