2-chloroprop-2-enyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate

C14H13ClN2O4 — CID 46691602

IUPAC2-chloroprop-2-enyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
SMILESC=C(Cl)COC(=O)c1ccc(CN2C(=O)CNC2=O)cc1
InChIInChI=1S/C14H13ClN2O4/c1-9(15)8-21-13(19)11-4-2-10(3-5-11)7-17-12(18)6-16-14(17)20/h2-5H,1,6-8H2,(H,16,20)
InChIKeyWODWRTLSIPPELU-UHFFFAOYSA-N
MW308.72 g/mol
LogP1.65
Rot. Bonds5

About 2-chloroprop-2-enyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate

2-chloroprop-2-enyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate (PubChem CID 46691602) has the molecular formula C14H13ClN2O4 and a molecular weight of 308.72 g/mol. Its IUPAC name is 2-chloroprop-2-enyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate.

Molecular Properties

Compound Name2-chloroprop-2-enyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
PubChem CID46691602
Molecular FormulaC14H13ClN2O4
Molecular Weight308.72 g/mol
Exact Mass308.06
IUPAC Name2-chloroprop-2-enyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
SMILESC=C(Cl)COC(=O)c1ccc(CN2C(=O)CNC2=O)cc1
InChIInChI=1S/C14H13ClN2O4/c1-9(15)8-21-13(19)11-4-2-10(3-5-11)7-17-12(18)6-16-14(17)20/h2-5H,1,6-8H2,(H,16,20)
InChIKeyWODWRTLSIPPELU-UHFFFAOYSA-N
XLogP1.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloroprop-2-enyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methoxy-2-oxoethyl) 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 16585574
benzyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 17454076
(5-chlorothiophen-2-yl)methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 71900069
[2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 27704396
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 27704240
ethyl 4-[2-[4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoyl]oxyacetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 41470468
(2-amino-2-oxoethyl) 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate
CID 32939173
2-(3-methylphenoxy)ethyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 46688572
[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl] 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 46819358
4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N,N-bis(prop-2-enyl)benzamide
CID 78805985
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 16611794
[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 16602055

Frequently Asked Questions

What is the IUPAC name of 2-chloroprop-2-enyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
The IUPAC name of 2-chloroprop-2-enyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate (CID 46691602) is 2-chloroprop-2-enyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate.
What is the SMILES notation for 2-chloroprop-2-enyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
The canonical SMILES for 2-chloroprop-2-enyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate is C=C(Cl)COC(=O)c1ccc(CN2C(=O)CNC2=O)cc1.
What is the InChIKey of 2-chloroprop-2-enyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
The InChIKey is WODWRTLSIPPELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O4/c1-9(15)8-21-13(19)11-4-2-10(3-5-11)7-17-12(18)6-16-14(17)20/h2-5H,1,6-8H2,(H,16,20).
What are the key properties of 2-chloroprop-2-enyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
2-chloroprop-2-enyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate has a molecular weight of 308.72 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroprop-2-enyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate is sourced from PubChem (CID 46691602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).