3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one

C15H8F6N2O2 — CID 4552

IUPAC3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(C(F)(F)F)ccc2n1-c1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C15H8F6N2O2/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/h1-6,24H,(H,22,25)
InChIKeyYLFMCMWKHSDUCT-UHFFFAOYSA-N
MW362.23 g/mol
LogP4.06
Rot. Bonds1

About 3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one

3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one (PubChem CID 4552) has the molecular formula C15H8F6N2O2 and a molecular weight of 362.23 g/mol. Its IUPAC name is 3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one
PubChem CID4552
Molecular FormulaC15H8F6N2O2
Molecular Weight362.23 g/mol
Exact Mass362.05
IUPAC Name3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(C(F)(F)F)ccc2n1-c1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C15H8F6N2O2/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/h1-6,24H,(H,22,25)
InChIKeyYLFMCMWKHSDUCT-UHFFFAOYSA-N
XLogP4.06
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

NS-1643
CID 10177784
NS 004
CID 5311330
1-(2,4-Dihydroxy-5-Propylphenyl)-1,3-Dihydro-2h-Benzimidazol-2-One
CID 69440884
3-[2-hydroxy-5-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one
CID 56680021
3-(2,4-dihydroxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 16727213
3-[2,4-dihydroxy-5-[3-(trifluoromethyl)phenyl]phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 87835766
1-(4-tert-Butylphenyl)-3-[2-[3,3-dimethyl-4-(trifluoromethyl)-7-hydroxyindoline-1-yl]phenyl]urea
CID 90063063
1-[2-[7-hydroxy-3,3-dimethyl-4-(trifluoromethyl)-2H-indol-1-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 90063067
1-(5-Ethyl-2,4-Dihydroxyphenyl)-1,3-Dihydro-2h-Benzimidazol-2-One
CID 118796334
1-(2-Hydroxy-5-methylphenyl)-3-phenylurea
CID 4130676
4-(Trifluoromethyl)-2-[5-(trifluoromethyl)-2,3-dihydrobenzimidazol-1-yl]phenol
CID 52948538
1-(2-Methoxy-5-trifluoromethylphenyl)-5-trifluoromethyl-1,3-dihydro-2H-benzimidazol-2-one
CID 19001543

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one?
The IUPAC name of 3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one (CID 4552) is 3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one is O=c1[nH]c2cc(C(F)(F)F)ccc2n1-c1cc(C(F)(F)F)ccc1O.
What is the InChIKey of 3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one?
The InChIKey is YLFMCMWKHSDUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F6N2O2/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/h1-6,24H,(H,22,25).
What are the key properties of 3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one?
3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one has a molecular weight of 362.23 g/mol, XLogP of 4.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 4552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).