(4-methoxyphenyl) imidazolidine-4-carboxylate

C11H14N2O3 — CID 151589468

IUPAC(4-methoxyphenyl) imidazolidine-4-carboxylate
SMILESCOc1ccc(OC(=O)C2CNCN2)cc1
InChIInChI=1S/C11H14N2O3/c1-15-8-2-4-9(5-3-8)16-11(14)10-6-12-7-13-10/h2-5,10,12-13H,6-7H2,1H3
InChIKeyQIEOWMICZFBPBR-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.12
Rot. Bonds3

About (4-methoxyphenyl) imidazolidine-4-carboxylate

(4-methoxyphenyl) imidazolidine-4-carboxylate (PubChem CID 151589468) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is (4-methoxyphenyl) imidazolidine-4-carboxylate.

Molecular Properties

Compound Name(4-methoxyphenyl) imidazolidine-4-carboxylate
PubChem CID151589468
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name(4-methoxyphenyl) imidazolidine-4-carboxylate
SMILESCOc1ccc(OC(=O)C2CNCN2)cc1
InChIInChI=1S/C11H14N2O3/c1-15-8-2-4-9(5-3-8)16-11(14)10-6-12-7-13-10/h2-5,10,12-13H,6-7H2,1H3
InChIKeyQIEOWMICZFBPBR-UHFFFAOYSA-N
XLogP0.12
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-methylphenyl) pyrrolidine-2-carboxylate
CID 82112769
(4-methoxyphenyl) (2S,3R)-3-methyloxirane-2-carboxylate
CID 91163520
bis(4-methoxyphenyl) propanedioate
CID 12000137
(4-methoxyphenyl) hydrogen carbonate
CID 19016633
(4-methoxyphenyl) 1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 141338899
N-[(4-methoxyphenyl)methyl]-N-methylpiperazine-2-carboxamide
CID 63104350
(4-methoxyphenyl) 2-(1,2,3,6-tetrahydropyridin-4-yl)acetate
CID 117125622
(4-methoxyphenyl) 2-oxobicyclo[3.1.0]hexane-6-carboxylate
CID 22450663
(4-methoxyphenyl) 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate
CID 45272638
(4-hydroxyphenyl) 5-oxopyrrolidine-2-carboxylate
CID 18372043
(4-methoxyphenyl) 2-oxoacetate
CID 165359062
(4-methoxyphenyl)methyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CID 64714789

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) imidazolidine-4-carboxylate?
The IUPAC name of (4-methoxyphenyl) imidazolidine-4-carboxylate (CID 151589468) is (4-methoxyphenyl) imidazolidine-4-carboxylate.
What is the SMILES notation for (4-methoxyphenyl) imidazolidine-4-carboxylate?
The canonical SMILES for (4-methoxyphenyl) imidazolidine-4-carboxylate is COc1ccc(OC(=O)C2CNCN2)cc1.
What is the InChIKey of (4-methoxyphenyl) imidazolidine-4-carboxylate?
The InChIKey is QIEOWMICZFBPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-15-8-2-4-9(5-3-8)16-11(14)10-6-12-7-13-10/h2-5,10,12-13H,6-7H2,1H3.
What are the key properties of (4-methoxyphenyl) imidazolidine-4-carboxylate?
(4-methoxyphenyl) imidazolidine-4-carboxylate has a molecular weight of 222.24 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) imidazolidine-4-carboxylate is sourced from PubChem (CID 151589468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).