2-(trifluoromethyl)-1,5,6,7-tetrahydrobenzimidazol-4-one

C8H7F3N2O — CID 82396764

IUPAC2-(trifluoromethyl)-1,5,6,7-tetrahydrobenzimidazol-4-one
SMILESO=C1CCCc2[nH]c(C(F)(F)F)nc21
InChIInChI=1S/C8H7F3N2O/c9-8(10,11)7-12-4-2-1-3-5(14)6(4)13-7/h1-3H2,(H,12,13)
InChIKeyCYOIFMBRQPXQQU-UHFFFAOYSA-N
MW204.15 g/mol
LogP1.95
Rot. Bonds

About 2-(trifluoromethyl)-1,5,6,7-tetrahydrobenzimidazol-4-one

2-(trifluoromethyl)-1,5,6,7-tetrahydrobenzimidazol-4-one (PubChem CID 82396764) has the molecular formula C8H7F3N2O and a molecular weight of 204.15 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1,5,6,7-tetrahydrobenzimidazol-4-one.

Molecular Properties

Compound Name2-(trifluoromethyl)-1,5,6,7-tetrahydrobenzimidazol-4-one
PubChem CID82396764
Molecular FormulaC8H7F3N2O
Molecular Weight204.15 g/mol
Exact Mass204.05
IUPAC Name2-(trifluoromethyl)-1,5,6,7-tetrahydrobenzimidazol-4-one
SMILESO=C1CCCc2[nH]c(C(F)(F)F)nc21
InChIInChI=1S/C8H7F3N2O/c9-8(10,11)7-12-4-2-1-3-5(14)6(4)13-7/h1-3H2,(H,12,13)
InChIKeyCYOIFMBRQPXQQU-UHFFFAOYSA-N
XLogP1.95
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1,5,6,7-tetrahydrobenzimidazol-4-one?
The IUPAC name of 2-(trifluoromethyl)-1,5,6,7-tetrahydrobenzimidazol-4-one (CID 82396764) is 2-(trifluoromethyl)-1,5,6,7-tetrahydrobenzimidazol-4-one.
What is the SMILES notation for 2-(trifluoromethyl)-1,5,6,7-tetrahydrobenzimidazol-4-one?
The canonical SMILES for 2-(trifluoromethyl)-1,5,6,7-tetrahydrobenzimidazol-4-one is O=C1CCCc2[nH]c(C(F)(F)F)nc21.
What is the InChIKey of 2-(trifluoromethyl)-1,5,6,7-tetrahydrobenzimidazol-4-one?
The InChIKey is CYOIFMBRQPXQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O/c9-8(10,11)7-12-4-2-1-3-5(14)6(4)13-7/h1-3H2,(H,12,13).
What are the key properties of 2-(trifluoromethyl)-1,5,6,7-tetrahydrobenzimidazol-4-one?
2-(trifluoromethyl)-1,5,6,7-tetrahydrobenzimidazol-4-one has a molecular weight of 204.15 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1,5,6,7-tetrahydrobenzimidazol-4-one is sourced from PubChem (CID 82396764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).