3-(4-hydroxycyclohexyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one

C14H15F3N2O2 — CID 11266552

IUPAC3-(4-hydroxycyclohexyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(C(F)(F)F)ccc2n1C1CCC(O)CC1
InChIInChI=1S/C14H15F3N2O2/c15-14(16,17)8-1-6-12-11(7-8)18-13(21)19(12)9-2-4-10(20)5-3-9/h1,6-7,9-10,20H,2-5H2,(H,18,21)
InChIKeyULUXOWPTOISOPD-UHFFFAOYSA-N
MW300.28 g/mol
LogP2.82
Rot. Bonds1

About 3-(4-hydroxycyclohexyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one

3-(4-hydroxycyclohexyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one (PubChem CID 11266552) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is 3-(4-hydroxycyclohexyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(4-hydroxycyclohexyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one
PubChem CID11266552
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC Name3-(4-hydroxycyclohexyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(C(F)(F)F)ccc2n1C1CCC(O)CC1
InChIInChI=1S/C14H15F3N2O2/c15-14(16,17)8-1-6-12-11(7-8)18-13(21)19(12)9-2-4-10(20)5-3-9/h1,6-7,9-10,20H,2-5H2,(H,18,21)
InChIKeyULUXOWPTOISOPD-UHFFFAOYSA-N
XLogP2.82
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxycyclohexyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one?
The IUPAC name of 3-(4-hydroxycyclohexyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one (CID 11266552) is 3-(4-hydroxycyclohexyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(4-hydroxycyclohexyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-(4-hydroxycyclohexyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one is O=c1[nH]c2cc(C(F)(F)F)ccc2n1C1CCC(O)CC1.
What is the InChIKey of 3-(4-hydroxycyclohexyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one?
The InChIKey is ULUXOWPTOISOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c15-14(16,17)8-1-6-12-11(7-8)18-13(21)19(12)9-2-4-10(20)5-3-9/h1,6-7,9-10,20H,2-5H2,(H,18,21).
What are the key properties of 3-(4-hydroxycyclohexyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one?
3-(4-hydroxycyclohexyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one has a molecular weight of 300.28 g/mol, XLogP of 2.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxycyclohexyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 11266552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).