ethyl 2-(1-benzylimidazolidin-2-yl)acetate

C14H20N2O2 — CID 134875618

IUPACethyl 2-(1-benzylimidazolidin-2-yl)acetate
SMILESCCOC(=O)CC1NCCN1Cc1ccccc1
InChIInChI=1S/C14H20N2O2/c1-2-18-14(17)10-13-15-8-9-16(13)11-12-6-4-3-5-7-12/h3-7,13,15H,2,8-11H2,1H3
InChIKeyJDCWWATVKRBYOR-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.37
Rot. Bonds5

About ethyl 2-(1-benzylimidazolidin-2-yl)acetate

ethyl 2-(1-benzylimidazolidin-2-yl)acetate (PubChem CID 134875618) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is ethyl 2-(1-benzylimidazolidin-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-benzylimidazolidin-2-yl)acetate
PubChem CID134875618
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Nameethyl 2-(1-benzylimidazolidin-2-yl)acetate
SMILESCCOC(=O)CC1NCCN1Cc1ccccc1
InChIInChI=1S/C14H20N2O2/c1-2-18-14(17)10-13-15-8-9-16(13)11-12-6-4-3-5-7-12/h3-7,13,15H,2,8-11H2,1H3
InChIKeyJDCWWATVKRBYOR-UHFFFAOYSA-N
XLogP1.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(2R,3R)-1-benzyl-2-tert-butylpyrrolidin-3-yl]acetate
CID 146168791
ethyl 1-benzylpiperazine-2-carboxylate;hydrochloride
CID 53487540
ethyl 2-[1-benzyl-2-(phenylmethoxymethyl)pyrrolidin-3-yl]acetate
CID 100966203
ethyl 2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 1382900
ethyl 2-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-1-yl)acetate
CID 59486375
ethyl 2-[(2S,3S,4S)-1-benzyl-3-formyl-2-phenylpiperidin-4-yl]acetate
CID 132532994
ethyl 2-[1-[(3-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 2996935
ethyl 2-[1-(pyridin-4-ylmethyl)piperazin-2-yl]acetate
CID 134465394
ethyl 2-[4-benzyl-7,10-bis(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 14031656
ethyl 2-(1-benzylpiperidin-4-yl)sulfanylacetate
CID 11277813
ethyl 2-[(2S)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]acetate
CID 7172640
ethyl 2-(1-benzyl-5-propan-2-yl-3,4-dihydro-2H-pyridin-4-yl)acetate
CID 11695145

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-benzylimidazolidin-2-yl)acetate?
The IUPAC name of ethyl 2-(1-benzylimidazolidin-2-yl)acetate (CID 134875618) is ethyl 2-(1-benzylimidazolidin-2-yl)acetate.
What is the SMILES notation for ethyl 2-(1-benzylimidazolidin-2-yl)acetate?
The canonical SMILES for ethyl 2-(1-benzylimidazolidin-2-yl)acetate is CCOC(=O)CC1NCCN1Cc1ccccc1.
What is the InChIKey of ethyl 2-(1-benzylimidazolidin-2-yl)acetate?
The InChIKey is JDCWWATVKRBYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-18-14(17)10-13-15-8-9-16(13)11-12-6-4-3-5-7-12/h3-7,13,15H,2,8-11H2,1H3.
What are the key properties of ethyl 2-(1-benzylimidazolidin-2-yl)acetate?
ethyl 2-(1-benzylimidazolidin-2-yl)acetate has a molecular weight of 248.33 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-benzylimidazolidin-2-yl)acetate is sourced from PubChem (CID 134875618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).