5-(4-fluorophenoxy)-3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one

C19H19FN2O3 — CID 142429531

IUPAC5-(4-fluorophenoxy)-3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccc(Oc3ccc(F)cc3)cc2n1C1CCC(O)CC1
InChIInChI=1S/C19H19FN2O3/c20-12-1-7-15(8-2-12)25-16-9-10-17-18(11-16)22(19(24)21-17)13-3-5-14(23)6-4-13/h1-2,7-11,13-14,23H,3-6H2,(H,21,24)
InChIKeyWLLIRBFKDLSZEG-UHFFFAOYSA-N
MW342.37 g/mol
LogP3.74
Rot. Bonds3

About 5-(4-fluorophenoxy)-3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one

5-(4-fluorophenoxy)-3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one (PubChem CID 142429531) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 5-(4-fluorophenoxy)-3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-(4-fluorophenoxy)-3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one
PubChem CID142429531
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name5-(4-fluorophenoxy)-3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccc(Oc3ccc(F)cc3)cc2n1C1CCC(O)CC1
InChIInChI=1S/C19H19FN2O3/c20-12-1-7-15(8-2-12)25-16-9-10-17-18(11-16)22(19(24)21-17)13-3-5-14(23)6-4-13/h1-2,7-11,13-14,23H,3-6H2,(H,21,24)
InChIKeyWLLIRBFKDLSZEG-UHFFFAOYSA-N
XLogP3.74
TPSA67.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenoxy)-3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one?
The IUPAC name of 5-(4-fluorophenoxy)-3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one (CID 142429531) is 5-(4-fluorophenoxy)-3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 5-(4-fluorophenoxy)-3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one?
The canonical SMILES for 5-(4-fluorophenoxy)-3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one is O=c1[nH]c2ccc(Oc3ccc(F)cc3)cc2n1C1CCC(O)CC1.
What is the InChIKey of 5-(4-fluorophenoxy)-3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one?
The InChIKey is WLLIRBFKDLSZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c20-12-1-7-15(8-2-12)25-16-9-10-17-18(11-16)22(19(24)21-17)13-3-5-14(23)6-4-13/h1-2,7-11,13-14,23H,3-6H2,(H,21,24).
What are the key properties of 5-(4-fluorophenoxy)-3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one?
5-(4-fluorophenoxy)-3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one has a molecular weight of 342.37 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenoxy)-3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 142429531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).