1-[[1-[4-(trifluoromethyl)phenyl]indazol-3-yl]methyl]imidazolidin-2-one

C18H15F3N4O — CID 168830277

IUPAC1-[[1-[4-(trifluoromethyl)phenyl]indazol-3-yl]methyl]imidazolidin-2-one
SMILESO=C1NCCN1Cc1nn(-c2ccc(C(F)(F)F)cc2)c2ccccc12
InChIInChI=1S/C18H15F3N4O/c19-18(20,21)12-5-7-13(8-6-12)25-16-4-2-1-3-14(16)15(23-25)11-24-10-9-22-17(24)26/h1-8H,9-11H2,(H,22,26)
InChIKeyAXYNSECCLVEDBW-UHFFFAOYSA-N
MW360.34 g/mol
LogP3.57
Rot. Bonds3

About 1-[[1-[4-(trifluoromethyl)phenyl]indazol-3-yl]methyl]imidazolidin-2-one

1-[[1-[4-(trifluoromethyl)phenyl]indazol-3-yl]methyl]imidazolidin-2-one (PubChem CID 168830277) has the molecular formula C18H15F3N4O and a molecular weight of 360.34 g/mol. Its IUPAC name is 1-[[1-[4-(trifluoromethyl)phenyl]indazol-3-yl]methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[[1-[4-(trifluoromethyl)phenyl]indazol-3-yl]methyl]imidazolidin-2-one
PubChem CID168830277
Molecular FormulaC18H15F3N4O
Molecular Weight360.34 g/mol
Exact Mass360.12
IUPAC Name1-[[1-[4-(trifluoromethyl)phenyl]indazol-3-yl]methyl]imidazolidin-2-one
SMILESO=C1NCCN1Cc1nn(-c2ccc(C(F)(F)F)cc2)c2ccccc12
InChIInChI=1S/C18H15F3N4O/c19-18(20,21)12-5-7-13(8-6-12)25-16-4-2-1-3-14(16)15(23-25)11-24-10-9-22-17(24)26/h1-8H,9-11H2,(H,22,26)
InChIKeyAXYNSECCLVEDBW-UHFFFAOYSA-N
XLogP3.57
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[4-(trifluoromethyl)phenyl]indazol-3-yl]methyl]imidazolidin-2-one?
The IUPAC name of 1-[[1-[4-(trifluoromethyl)phenyl]indazol-3-yl]methyl]imidazolidin-2-one (CID 168830277) is 1-[[1-[4-(trifluoromethyl)phenyl]indazol-3-yl]methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[[1-[4-(trifluoromethyl)phenyl]indazol-3-yl]methyl]imidazolidin-2-one?
The canonical SMILES for 1-[[1-[4-(trifluoromethyl)phenyl]indazol-3-yl]methyl]imidazolidin-2-one is O=C1NCCN1Cc1nn(-c2ccc(C(F)(F)F)cc2)c2ccccc12.
What is the InChIKey of 1-[[1-[4-(trifluoromethyl)phenyl]indazol-3-yl]methyl]imidazolidin-2-one?
The InChIKey is AXYNSECCLVEDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O/c19-18(20,21)12-5-7-13(8-6-12)25-16-4-2-1-3-14(16)15(23-25)11-24-10-9-22-17(24)26/h1-8H,9-11H2,(H,22,26).
What are the key properties of 1-[[1-[4-(trifluoromethyl)phenyl]indazol-3-yl]methyl]imidazolidin-2-one?
1-[[1-[4-(trifluoromethyl)phenyl]indazol-3-yl]methyl]imidazolidin-2-one has a molecular weight of 360.34 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[4-(trifluoromethyl)phenyl]indazol-3-yl]methyl]imidazolidin-2-one is sourced from PubChem (CID 168830277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).