3-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one

C14H8ClF3N2O2 — CID 5311330

IUPAC3-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(C(F)(F)F)ccc2n1-c1cc(Cl)ccc1O
InChIInChI=1S/C14H8ClF3N2O2/c15-8-2-4-12(21)11(6-8)20-10-3-1-7(14(16,17)18)5-9(10)19-13(20)22/h1-6,21H,(H,19,22)
InChIKeyWYLYBVMNGZOYOH-UHFFFAOYSA-N
MW328.68 g/mol
LogP3.70
Rot. Bonds1

About 3-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one

3-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one (PubChem CID 5311330) has the molecular formula C14H8ClF3N2O2 and a molecular weight of 328.68 g/mol. Its IUPAC name is 3-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one
PubChem CID5311330
Molecular FormulaC14H8ClF3N2O2
Molecular Weight328.68 g/mol
Exact Mass328.02
IUPAC Name3-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(C(F)(F)F)ccc2n1-c1cc(Cl)ccc1O
InChIInChI=1S/C14H8ClF3N2O2/c15-8-2-4-12(21)11(6-8)20-10-3-1-7(14(16,17)18)5-9(10)19-13(20)22/h1-6,21H,(H,19,22)
InChIKeyWYLYBVMNGZOYOH-UHFFFAOYSA-N
XLogP3.70
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.68
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dihydro-1-(2-hydroxy-5-(trifluoromethyl)phenyl)-5-(trifluoromethyl)-2H-benzimidazol-2-one
CID 4552
NS-1738
CID 310378
N-(5-Chloro-2-hydroxyphenyl)-N'-(3-(trifluoromethyl)phenyl)urea
CID 133058
3-[2-hydroxy-5-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one
CID 56680021
3-(2,4-dihydroxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 16727213
1-[2-(4-chloro-3,3-diethyl-7-hydroxy-2H-indol-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 90062909
1-[2-(4-chloro-7-hydroxy-3,3-dimethyl-2H-indol-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 90062958
3-(5-chloro-2-hydroxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-one
CID 16105591
4-(Trifluoromethyl)-2-[5-(trifluoromethyl)-2,3-dihydrobenzimidazol-1-yl]phenol
CID 52948538
1-(5-chloro-2,4-dihydroxyphenyl)-2-oxo-3H-benzimidazole-5-carbonitrile
CID 69439865
Urea, N-[3,5-bis(trifluoromethyl)phenyl]-N'-(5-chloro-2-hydroxyphenyl)-
CID 10250297
3-[(5-chloro-2-hydroxyphenyl)methyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 44419012

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one?
The IUPAC name of 3-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one (CID 5311330) is 3-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one is O=c1[nH]c2cc(C(F)(F)F)ccc2n1-c1cc(Cl)ccc1O.
What is the InChIKey of 3-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one?
The InChIKey is WYLYBVMNGZOYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N2O2/c15-8-2-4-12(21)11(6-8)20-10-3-1-7(14(16,17)18)5-9(10)19-13(20)22/h1-6,21H,(H,19,22).
What are the key properties of 3-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one?
3-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one has a molecular weight of 328.68 g/mol, XLogP of 3.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 5311330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).