N-tert-butyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide

C22H24FN5O2 — CID 118937690

IUPACN-tert-butyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O
InChIInChI=1S/C22H24FN5O2/c1-22(2,3)25-20(29)14-26-11-12-27(21(26)30)17-9-6-10-18-15(17)13-24-28(18)19-8-5-4-7-16(19)23/h4-10,13H,11-12,14H2,1-3H3,(H,25,29)
InChIKeyZHRXHPYREILALX-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.32
Rot. Bonds4

About N-tert-butyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide

N-tert-butyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide (PubChem CID 118937690) has the molecular formula C22H24FN5O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is N-tert-butyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide
PubChem CID118937690
Molecular FormulaC22H24FN5O2
Molecular Weight409.47 g/mol
Exact Mass409.19
IUPAC NameN-tert-butyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O
InChIInChI=1S/C22H24FN5O2/c1-22(2,3)25-20(29)14-26-11-12-27(21(26)30)17-9-6-10-18-15(17)13-24-28(18)19-8-5-4-7-16(19)23/h4-10,13H,11-12,14H2,1-3H3,(H,25,29)
InChIKeyZHRXHPYREILALX-UHFFFAOYSA-N
XLogP3.32
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide (CID 118937690) is N-tert-butyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide is CC(C)(C)NC(=O)CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O.
What is the InChIKey of N-tert-butyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide?
The InChIKey is ZHRXHPYREILALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O2/c1-22(2,3)25-20(29)14-26-11-12-27(21(26)30)17-9-6-10-18-15(17)13-24-28(18)19-8-5-4-7-16(19)23/h4-10,13H,11-12,14H2,1-3H3,(H,25,29).
What are the key properties of N-tert-butyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide?
N-tert-butyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide has a molecular weight of 409.47 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 118937690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).