methyl 4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzoate

C17H17N3O3 — CID 68789034

IUPACmethyl 4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzoate
SMILESCOC(=O)c1ccc(N2CCN(c3cnccc3C)C2=O)cc1
InChIInChI=1S/C17H17N3O3/c1-12-7-8-18-11-15(12)20-10-9-19(17(20)22)14-5-3-13(4-6-14)16(21)23-2/h3-8,11H,9-10H2,1-2H3
InChIKeyNHSHUXFKFGBPJE-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.62
Rot. Bonds3

About methyl 4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzoate

methyl 4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzoate (PubChem CID 68789034) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is methyl 4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzoate
PubChem CID68789034
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Namemethyl 4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzoate
SMILESCOC(=O)c1ccc(N2CCN(c3cnccc3C)C2=O)cc1
InChIInChI=1S/C17H17N3O3/c1-12-7-8-18-11-15(12)20-10-9-19(17(20)22)14-5-3-13(4-6-14)16(21)23-2/h3-8,11H,9-10H2,1-2H3
InChIKeyNHSHUXFKFGBPJE-UHFFFAOYSA-N
XLogP2.62
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzoate?
The IUPAC name of methyl 4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzoate (CID 68789034) is methyl 4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzoate.
What is the SMILES notation for methyl 4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzoate?
The canonical SMILES for methyl 4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzoate is COC(=O)c1ccc(N2CCN(c3cnccc3C)C2=O)cc1.
What is the InChIKey of methyl 4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzoate?
The InChIKey is NHSHUXFKFGBPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-12-7-8-18-11-15(12)20-10-9-19(17(20)22)14-5-3-13(4-6-14)16(21)23-2/h3-8,11H,9-10H2,1-2H3.
What are the key properties of methyl 4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzoate?
methyl 4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzoate has a molecular weight of 311.34 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzoate is sourced from PubChem (CID 68789034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).