(2-oxoimidazolidin-1-yl) 2-methylbenzoate

C11H12N2O3 — CID 137333513

IUPAC(2-oxoimidazolidin-1-yl) 2-methylbenzoate
SMILESCc1ccccc1C(=O)ON1CCNC1=O
InChIInChI=1S/C11H12N2O3/c1-8-4-2-3-5-9(8)10(14)16-13-7-6-12-11(13)15/h2-5H,6-7H2,1H3,(H,12,15)
InChIKeyPGFVJIOYWKDOJQ-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.09
Rot. Bonds2

About (2-oxoimidazolidin-1-yl) 2-methylbenzoate

(2-oxoimidazolidin-1-yl) 2-methylbenzoate (PubChem CID 137333513) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is (2-oxoimidazolidin-1-yl) 2-methylbenzoate.

Molecular Properties

Compound Name(2-oxoimidazolidin-1-yl) 2-methylbenzoate
PubChem CID137333513
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name(2-oxoimidazolidin-1-yl) 2-methylbenzoate
SMILESCc1ccccc1C(=O)ON1CCNC1=O
InChIInChI=1S/C11H12N2O3/c1-8-4-2-3-5-9(8)10(14)16-13-7-6-12-11(13)15/h2-5H,6-7H2,1H3,(H,12,15)
InChIKeyPGFVJIOYWKDOJQ-UHFFFAOYSA-N
XLogP1.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4,5-dihydro-1H-imidazol-2-ylamino) benzoate
CID 11593667
(2,5-Dioxoimidazolidin-1-yl) benzoate
CID 21988096
(3-Methyl-2,5-dioxoimidazolidin-1-yl) benzoate
CID 21988115
2-Carboxybenzoate;1,2,3-trimethylimidazolidin-1-ium
CID 67582582
1,2,3-Trimethylimidazolidin-1-ium benzoate
CID 67582703
1-Ethyl-2,3-dimethylimidazolidin-1-ium benzoate
CID 67583926
1,2,3,4-Tetramethylimidazolidin-1-ium benzoate
CID 67583937
Bis(1,3-diethyl-2-methylimidazolidin-1-ium);phthalate
CID 67588698
2-Carboxybenzoate;1-ethyl-2,3-dimethylimidazolidin-1-ium
CID 68583284
1-Ethyl-2,3-dimethylimidazolinium phthalate
CID 68665677
Phthalate;bis(1,2,3-trimethylimidazolidin-1-ium)
CID 69254372
1,2,3,4-Tetramethyl imidazolinium.phthalate
CID 86625657

Frequently Asked Questions

What is the IUPAC name of (2-oxoimidazolidin-1-yl) 2-methylbenzoate?
The IUPAC name of (2-oxoimidazolidin-1-yl) 2-methylbenzoate (CID 137333513) is (2-oxoimidazolidin-1-yl) 2-methylbenzoate.
What is the SMILES notation for (2-oxoimidazolidin-1-yl) 2-methylbenzoate?
The canonical SMILES for (2-oxoimidazolidin-1-yl) 2-methylbenzoate is Cc1ccccc1C(=O)ON1CCNC1=O.
What is the InChIKey of (2-oxoimidazolidin-1-yl) 2-methylbenzoate?
The InChIKey is PGFVJIOYWKDOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-8-4-2-3-5-9(8)10(14)16-13-7-6-12-11(13)15/h2-5H,6-7H2,1H3,(H,12,15).
What are the key properties of (2-oxoimidazolidin-1-yl) 2-methylbenzoate?
(2-oxoimidazolidin-1-yl) 2-methylbenzoate has a molecular weight of 220.23 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxoimidazolidin-1-yl) 2-methylbenzoate is sourced from PubChem (CID 137333513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).