3-(3-hydroxypropyl)-7-(trifluoromethyl)-1H-benzimidazol-2-one

C11H11F3N2O2 — CID 117206090

IUPAC3-(3-hydroxypropyl)-7-(trifluoromethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2c(C(F)(F)F)cccc2n1CCCO
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)7-3-1-4-8-9(7)15-10(18)16(8)5-2-6-17/h1,3-4,17H,2,5-6H2,(H,15,18)
InChIKeyQPBCOCCIIFISLB-UHFFFAOYSA-N
MW260.21 g/mol
LogP1.73
Rot. Bonds3

About 3-(3-hydroxypropyl)-7-(trifluoromethyl)-1H-benzimidazol-2-one

3-(3-hydroxypropyl)-7-(trifluoromethyl)-1H-benzimidazol-2-one (PubChem CID 117206090) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is 3-(3-hydroxypropyl)-7-(trifluoromethyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(3-hydroxypropyl)-7-(trifluoromethyl)-1H-benzimidazol-2-one
PubChem CID117206090
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC Name3-(3-hydroxypropyl)-7-(trifluoromethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2c(C(F)(F)F)cccc2n1CCCO
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)7-3-1-4-8-9(7)15-10(18)16(8)5-2-6-17/h1,3-4,17H,2,5-6H2,(H,15,18)
InChIKeyQPBCOCCIIFISLB-UHFFFAOYSA-N
XLogP1.73
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropyl)-7-(trifluoromethyl)-1H-benzimidazol-2-one?
The IUPAC name of 3-(3-hydroxypropyl)-7-(trifluoromethyl)-1H-benzimidazol-2-one (CID 117206090) is 3-(3-hydroxypropyl)-7-(trifluoromethyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(3-hydroxypropyl)-7-(trifluoromethyl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-(3-hydroxypropyl)-7-(trifluoromethyl)-1H-benzimidazol-2-one is O=c1[nH]c2c(C(F)(F)F)cccc2n1CCCO.
What is the InChIKey of 3-(3-hydroxypropyl)-7-(trifluoromethyl)-1H-benzimidazol-2-one?
The InChIKey is QPBCOCCIIFISLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c12-11(13,14)7-3-1-4-8-9(7)15-10(18)16(8)5-2-6-17/h1,3-4,17H,2,5-6H2,(H,15,18).
What are the key properties of 3-(3-hydroxypropyl)-7-(trifluoromethyl)-1H-benzimidazol-2-one?
3-(3-hydroxypropyl)-7-(trifluoromethyl)-1H-benzimidazol-2-one has a molecular weight of 260.21 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropyl)-7-(trifluoromethyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 117206090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).