5-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-one

C8H5F3N2O — CID 11820150

IUPAC5-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C8H5F3N2O/c9-8(10,11)4-1-2-5-6(3-4)13-7(14)12-5/h1-3H,(H2,12,13,14)
InChIKeyLSOWBXYANGMSPY-UHFFFAOYSA-N
MW202.13 g/mol
LogP1.88
Rot. Bonds

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

5-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 11820150) has the molecular formula C8H5F3N2O and a molecular weight of 202.13 g/mol. Its IUPAC name is 5-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID11820150
Molecular FormulaC8H5F3N2O
Molecular Weight202.13 g/mol
Exact Mass202.04
IUPAC Name5-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C8H5F3N2O/c9-8(10,11)4-1-2-5-6(3-4)13-7(14)12-5/h1-3H,(H2,12,13,14)
InChIKeyLSOWBXYANGMSPY-UHFFFAOYSA-N
XLogP1.88
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.13
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-one (CID 11820150) is 5-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(C(F)(F)F)cc2[nH]1.
What is the InChIKey of 5-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is LSOWBXYANGMSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O/c9-8(10,11)4-1-2-5-6(3-4)13-7(14)12-5/h1-3H,(H2,12,13,14).
What are the key properties of 5-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-one?
5-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 202.13 g/mol, XLogP of 1.88, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 11820150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).