1-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidin-4-one

C13H11F5N4O — CID 167941522

IUPAC1-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
SMILESO=C1CN(Cc2nc3cc(F)c(F)cc3[nH]2)CN1CC(F)(F)F
InChIInChI=1S/C13H11F5N4O/c14-7-1-9-10(2-8(7)15)20-11(19-9)3-21-4-12(23)22(6-21)5-13(16,17)18/h1-2H,3-6H2,(H,19,20)
InChIKeyIQTAQGQUVZTJHG-UHFFFAOYSA-N
MW334.25 g/mol
LogP2.01
Rot. Bonds3

About 1-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidin-4-one

1-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidin-4-one (PubChem CID 167941522) has the molecular formula C13H11F5N4O and a molecular weight of 334.25 g/mol. Its IUPAC name is 1-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidin-4-one.

Molecular Properties

Compound Name1-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
PubChem CID167941522
Molecular FormulaC13H11F5N4O
Molecular Weight334.25 g/mol
Exact Mass334.09
IUPAC Name1-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
SMILESO=C1CN(Cc2nc3cc(F)c(F)cc3[nH]2)CN1CC(F)(F)F
InChIInChI=1S/C13H11F5N4O/c14-7-1-9-10(2-8(7)15)20-11(19-9)3-21-4-12(23)22(6-21)5-13(16,17)18/h1-2H,3-6H2,(H,19,20)
InChIKeyIQTAQGQUVZTJHG-UHFFFAOYSA-N
XLogP2.01
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The IUPAC name of 1-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidin-4-one (CID 167941522) is 1-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidin-4-one.
What is the SMILES notation for 1-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The canonical SMILES for 1-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidin-4-one is O=C1CN(Cc2nc3cc(F)c(F)cc3[nH]2)CN1CC(F)(F)F.
What is the InChIKey of 1-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The InChIKey is IQTAQGQUVZTJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F5N4O/c14-7-1-9-10(2-8(7)15)20-11(19-9)3-21-4-12(23)22(6-21)5-13(16,17)18/h1-2H,3-6H2,(H,19,20).
What are the key properties of 1-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
1-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidin-4-one has a molecular weight of 334.25 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidin-4-one is sourced from PubChem (CID 167941522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).