[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(5-methylpyrazol-1-yl)benzoate

C16H16N4O4 — CID 8554135

IUPAC[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(5-methylpyrazol-1-yl)benzoate
SMILESCc1ccnn1-c1ccc(C(=O)OCC(=O)N2CCNC2=O)cc1
InChIInChI=1S/C16H16N4O4/c1-11-6-7-18-20(11)13-4-2-12(3-5-13)15(22)24-10-14(21)19-9-8-17-16(19)23/h2-7H,8-10H2,1H3,(H,17,23)
InChIKeyYHMZVABTEBQJKV-UHFFFAOYSA-N
MW328.33 g/mol
LogP0.89
Rot. Bonds4

About [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(5-methylpyrazol-1-yl)benzoate

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(5-methylpyrazol-1-yl)benzoate (PubChem CID 8554135) has the molecular formula C16H16N4O4 and a molecular weight of 328.33 g/mol. Its IUPAC name is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(5-methylpyrazol-1-yl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(5-methylpyrazol-1-yl)benzoate
PubChem CID8554135
Molecular FormulaC16H16N4O4
Molecular Weight328.33 g/mol
Exact Mass328.12
IUPAC Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(5-methylpyrazol-1-yl)benzoate
SMILESCc1ccnn1-c1ccc(C(=O)OCC(=O)N2CCNC2=O)cc1
InChIInChI=1S/C16H16N4O4/c1-11-6-7-18-20(11)13-4-2-12(3-5-13)15(22)24-10-14(21)19-9-8-17-16(19)23/h2-7H,8-10H2,1H3,(H,17,23)
InChIKeyYHMZVABTEBQJKV-UHFFFAOYSA-N
XLogP0.89
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-(5-methylpyrazol-1-yl)benzoate
CID 8974949
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(5-methylpyrazol-1-yl)benzoate
CID 9382216
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] pyridine-4-carboxylate
CID 7783725
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(dimethylamino)benzoate
CID 8533602
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952818
[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate
CID 8644028
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate
CID 8552943
[2-[2-(methylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate
CID 55481559
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(azepan-1-ylsulfonyl)benzoate
CID 8705386
4-(5-methylpyrazol-1-yl)benzoic acid
CID 4962781
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-(5-methylpyrazol-1-yl)benzoate
CID 9382212
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate
CID 8552464

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(5-methylpyrazol-1-yl)benzoate?
The IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(5-methylpyrazol-1-yl)benzoate (CID 8554135) is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(5-methylpyrazol-1-yl)benzoate.
What is the SMILES notation for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(5-methylpyrazol-1-yl)benzoate?
The canonical SMILES for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(5-methylpyrazol-1-yl)benzoate is Cc1ccnn1-c1ccc(C(=O)OCC(=O)N2CCNC2=O)cc1.
What is the InChIKey of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(5-methylpyrazol-1-yl)benzoate?
The InChIKey is YHMZVABTEBQJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4/c1-11-6-7-18-20(11)13-4-2-12(3-5-13)15(22)24-10-14(21)19-9-8-17-16(19)23/h2-7H,8-10H2,1H3,(H,17,23).
What are the key properties of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(5-methylpyrazol-1-yl)benzoate?
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(5-methylpyrazol-1-yl)benzoate has a molecular weight of 328.33 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(5-methylpyrazol-1-yl)benzoate is sourced from PubChem (CID 8554135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).