3-(4-methoxyphenyl)-2-oxoimidazolidine-1-carbonyl chloride

C11H11ClN2O3 — CID 54015630

IUPAC3-(4-methoxyphenyl)-2-oxoimidazolidine-1-carbonyl chloride
SMILESCOc1ccc(N2CCN(C(=O)Cl)C2=O)cc1
InChIInChI=1S/C11H11ClN2O3/c1-17-9-4-2-8(3-5-9)13-6-7-14(10(12)15)11(13)16/h2-5H,6-7H2,1H3
InChIKeyKVKUKAKDRIYBEP-UHFFFAOYSA-N
MW254.67 g/mol
LogP2.30
Rot. Bonds2

About 3-(4-methoxyphenyl)-2-oxoimidazolidine-1-carbonyl chloride

3-(4-methoxyphenyl)-2-oxoimidazolidine-1-carbonyl chloride (PubChem CID 54015630) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-oxoimidazolidine-1-carbonyl chloride.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-oxoimidazolidine-1-carbonyl chloride
PubChem CID54015630
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC Name3-(4-methoxyphenyl)-2-oxoimidazolidine-1-carbonyl chloride
SMILESCOc1ccc(N2CCN(C(=O)Cl)C2=O)cc1
InChIInChI=1S/C11H11ClN2O3/c1-17-9-4-2-8(3-5-9)13-6-7-14(10(12)15)11(13)16/h2-5H,6-7H2,1H3
InChIKeyKVKUKAKDRIYBEP-UHFFFAOYSA-N
XLogP2.30
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094
2-(4-methoxyphenyl)-5-oxopyrazolidine-1-carbonyl chloride
CID 71340396
3-(4-methoxyphenyl)-5-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid
CID 115065280
[3-[3-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]phenyl] formate
CID 58156920
3-(dihydroxymethylidene)-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 86326055
1-(4-methoxyphenyl)-2,3-dihydropyridin-6-one
CID 67005013
1-(4-chlorophenyl)-3-[5-[3-(4-methoxyphenoxy)propoxy]pentyl]imidazolidin-2-one
CID 12986486
1-(4-methoxyphenyl)pyrrolidine-2,4-dione
CID 79515540
1,3-bis[3-(4-methoxyphenyl)propanoyl]imidazolidin-2-one
CID 102045392
1-(4-methoxyphenyl)azepan-2-one
CID 66742326
1-(4-methoxyphenyl)-3-[(2,4,6-trifluorophenyl)methyl]imidazolidin-2-one
CID 5023328
3-(4-methoxyphenyl)-2-oxo-1,3-oxazinane-5-carboxylic acid
CID 117010286

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-oxoimidazolidine-1-carbonyl chloride?
The IUPAC name of 3-(4-methoxyphenyl)-2-oxoimidazolidine-1-carbonyl chloride (CID 54015630) is 3-(4-methoxyphenyl)-2-oxoimidazolidine-1-carbonyl chloride.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-oxoimidazolidine-1-carbonyl chloride?
The canonical SMILES for 3-(4-methoxyphenyl)-2-oxoimidazolidine-1-carbonyl chloride is COc1ccc(N2CCN(C(=O)Cl)C2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-oxoimidazolidine-1-carbonyl chloride?
The InChIKey is KVKUKAKDRIYBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c1-17-9-4-2-8(3-5-9)13-6-7-14(10(12)15)11(13)16/h2-5H,6-7H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-2-oxoimidazolidine-1-carbonyl chloride?
3-(4-methoxyphenyl)-2-oxoimidazolidine-1-carbonyl chloride has a molecular weight of 254.67 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-oxoimidazolidine-1-carbonyl chloride is sourced from PubChem (CID 54015630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).