6-(trifluoromethyl)-1,6-dihydrobenzimidazol-2-one

C8H5F3N2O — CID 71651001

IUPAC6-(trifluoromethyl)-1,6-dihydrobenzimidazol-2-one
SMILESO=C1N=C2C=CC(C(F)(F)F)C=C2N1
InChIInChI=1S/C8H5F3N2O/c9-8(10,11)4-1-2-5-6(3-4)13-7(14)12-5/h1-4H,(H,13,14)
InChIKeyNUKIUHXKUPZQOO-UHFFFAOYSA-N
MW202.13 g/mol
LogP1.78
Rot. Bonds

About 6-(trifluoromethyl)-1,6-dihydrobenzimidazol-2-one

6-(trifluoromethyl)-1,6-dihydrobenzimidazol-2-one (PubChem CID 71651001) has the molecular formula C8H5F3N2O and a molecular weight of 202.13 g/mol. Its IUPAC name is 6-(trifluoromethyl)-1,6-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name6-(trifluoromethyl)-1,6-dihydrobenzimidazol-2-one
PubChem CID71651001
Molecular FormulaC8H5F3N2O
Molecular Weight202.13 g/mol
Exact Mass202.04
IUPAC Name6-(trifluoromethyl)-1,6-dihydrobenzimidazol-2-one
SMILESO=C1N=C2C=CC(C(F)(F)F)C=C2N1
InChIInChI=1S/C8H5F3N2O/c9-8(10,11)4-1-2-5-6(3-4)13-7(14)12-5/h1-4H,(H,13,14)
InChIKeyNUKIUHXKUPZQOO-UHFFFAOYSA-N
XLogP1.78
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.13
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(2-methylpropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
CID 11117547
2(1H)-Pyrimidinone, 4-(1-methylethyl)-6-(trifluoromethyl)-
CID 13320944
2-Hydroxy-6-cyclopropyl-4-(trifluoromethyl)pyrimidine
CID 66545639
6-Fluoro-1,6-dihydrobenzimidazol-2-one
CID 71303756
6-methylidene-1H-benzimidazol-2-one
CID 53850287
1,6-Dihydrobenzimidazol-2-one
CID 69849663
1H-Benzimidazole-5-carbonitrile,2,3-dihydro-2-oxo-
CID 72208457
6-Ethyl-1,6-dihydrobenzimidazol-2-one
CID 73994382
6-(Aminomethyl)-1,6-dihydrobenzimidazol-2-one
CID 76019927

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-1,6-dihydrobenzimidazol-2-one?
The IUPAC name of 6-(trifluoromethyl)-1,6-dihydrobenzimidazol-2-one (CID 71651001) is 6-(trifluoromethyl)-1,6-dihydrobenzimidazol-2-one.
What is the SMILES notation for 6-(trifluoromethyl)-1,6-dihydrobenzimidazol-2-one?
The canonical SMILES for 6-(trifluoromethyl)-1,6-dihydrobenzimidazol-2-one is O=C1N=C2C=CC(C(F)(F)F)C=C2N1.
What is the InChIKey of 6-(trifluoromethyl)-1,6-dihydrobenzimidazol-2-one?
The InChIKey is NUKIUHXKUPZQOO-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/h1-4H,(H,13,14).
What are the key properties of 6-(trifluoromethyl)-1,6-dihydrobenzimidazol-2-one?
6-(trifluoromethyl)-1,6-dihydrobenzimidazol-2-one has a molecular weight of 202.13 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-1,6-dihydrobenzimidazol-2-one is sourced from PubChem (CID 71651001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).