5-(3,3,3-trifluoro-1-hydroxypropyl)-1,3-dihydrobenzimidazol-2-one

C10H9F3N2O2 — CID 61087136

IUPAC5-(3,3,3-trifluoro-1-hydroxypropyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(C(O)CC(F)(F)F)cc2[nH]1
InChIInChI=1S/C10H9F3N2O2/c11-10(12,13)4-8(16)5-1-2-6-7(3-5)15-9(17)14-6/h1-3,8,16H,4H2,(H2,14,15,17)
InChIKeyZQOKEKBRBREPRP-UHFFFAOYSA-N
MW246.19 g/mol
LogP1.84
Rot. Bonds2

About 5-(3,3,3-trifluoro-1-hydroxypropyl)-1,3-dihydrobenzimidazol-2-one

5-(3,3,3-trifluoro-1-hydroxypropyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 61087136) has the molecular formula C10H9F3N2O2 and a molecular weight of 246.19 g/mol. Its IUPAC name is 5-(3,3,3-trifluoro-1-hydroxypropyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(3,3,3-trifluoro-1-hydroxypropyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID61087136
Molecular FormulaC10H9F3N2O2
Molecular Weight246.19 g/mol
Exact Mass246.06
IUPAC Name5-(3,3,3-trifluoro-1-hydroxypropyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(C(O)CC(F)(F)F)cc2[nH]1
InChIInChI=1S/C10H9F3N2O2/c11-10(12,13)4-8(16)5-1-2-6-7(3-5)15-9(17)14-6/h1-3,8,16H,4H2,(H2,14,15,17)
InChIKeyZQOKEKBRBREPRP-UHFFFAOYSA-N
XLogP1.84
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3,3-trifluoro-1-hydroxypropyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(3,3,3-trifluoro-1-hydroxypropyl)-1,3-dihydrobenzimidazol-2-one (CID 61087136) is 5-(3,3,3-trifluoro-1-hydroxypropyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(3,3,3-trifluoro-1-hydroxypropyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(3,3,3-trifluoro-1-hydroxypropyl)-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(C(O)CC(F)(F)F)cc2[nH]1.
What is the InChIKey of 5-(3,3,3-trifluoro-1-hydroxypropyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is ZQOKEKBRBREPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O2/c11-10(12,13)4-8(16)5-1-2-6-7(3-5)15-9(17)14-6/h1-3,8,16H,4H2,(H2,14,15,17).
What are the key properties of 5-(3,3,3-trifluoro-1-hydroxypropyl)-1,3-dihydrobenzimidazol-2-one?
5-(3,3,3-trifluoro-1-hydroxypropyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 246.19 g/mol, XLogP of 1.84, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3,3-trifluoro-1-hydroxypropyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 61087136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).