5-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-one

C14H8ClF3N2O2 — CID 87769019

IUPAC5-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cc(-c3cc(Cl)ccc3O)c(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C14H8ClF3N2O2/c15-6-1-2-12(21)8(3-6)7-4-10-11(20-13(22)19-10)5-9(7)14(16,17)18/h1-5,21H,(H2,19,20,22)
InChIKeyHULBZTKEMTVUGB-UHFFFAOYSA-N
MW328.68 g/mol
LogP3.90
Rot. Bonds1

About 5-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-one

5-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 87769019) has the molecular formula C14H8ClF3N2O2 and a molecular weight of 328.68 g/mol. Its IUPAC name is 5-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID87769019
Molecular FormulaC14H8ClF3N2O2
Molecular Weight328.68 g/mol
Exact Mass328.02
IUPAC Name5-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cc(-c3cc(Cl)ccc3O)c(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C14H8ClF3N2O2/c15-6-1-2-12(21)8(3-6)7-4-10-11(20-13(22)19-10)5-9(7)14(16,17)18/h1-5,21H,(H2,19,20,22)
InChIKeyHULBZTKEMTVUGB-UHFFFAOYSA-N
XLogP3.90
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.68
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-one (CID 87769019) is 5-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2cc(-c3cc(Cl)ccc3O)c(C(F)(F)F)cc2[nH]1.
What is the InChIKey of 5-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is HULBZTKEMTVUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N2O2/c15-6-1-2-12(21)8(3-6)7-4-10-11(20-13(22)19-10)5-9(7)14(16,17)18/h1-5,21H,(H2,19,20,22).
What are the key properties of 5-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-one?
5-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 328.68 g/mol, XLogP of 3.90, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 87769019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).