propyl 4-imidazolidin-1-ylbenzoate

C13H18N2O2 — CID 141172883

IUPACpropyl 4-imidazolidin-1-ylbenzoate
SMILESCCCOC(=O)c1ccc(N2CCNC2)cc1
InChIInChI=1S/C13H18N2O2/c1-2-9-17-13(16)11-3-5-12(6-4-11)15-8-7-14-10-15/h3-6,14H,2,7-10H2,1H3
InChIKeyFOTZBQQMVQWKSS-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.62
Rot. Bonds4

About propyl 4-imidazolidin-1-ylbenzoate

propyl 4-imidazolidin-1-ylbenzoate (PubChem CID 141172883) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is propyl 4-imidazolidin-1-ylbenzoate.

Molecular Properties

Compound Namepropyl 4-imidazolidin-1-ylbenzoate
PubChem CID141172883
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Namepropyl 4-imidazolidin-1-ylbenzoate
SMILESCCCOC(=O)c1ccc(N2CCNC2)cc1
InChIInChI=1S/C13H18N2O2/c1-2-9-17-13(16)11-3-5-12(6-4-11)15-8-7-14-10-15/h3-6,14H,2,7-10H2,1H3
InChIKeyFOTZBQQMVQWKSS-UHFFFAOYSA-N
XLogP1.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze propyl 4-imidazolidin-1-ylbenzoate 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

butyl 4-piperazin-1-ylbenzoate;ethyl 4-piperazin-1-ylbenzoate
CID 158696483
propyl 3-piperazin-1-ylbenzoate
CID 175170803
ethyl 4-[(3R)-3-methylpiperazin-1-yl]benzoate
CID 70155537
propyl 4-[[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate
CID 8703836
propyl 3-amino-4-[4-(4-fluorophenyl)piperazin-1-yl]benzoate
CID 129451354
4-O-(2-methoxyethyl) 1-O-propyl benzene-1,4-dicarboxylate
CID 91730612
propyl 4-hydroxybenzoate
CID 66683808
butyl 4-(4-ethylpiperidin-1-yl)benzoate
CID 156711589
ethyl 4-[4,8,11-tris(4-ethoxycarbonylphenyl)-1,4,8,11-tetrazacyclotetradec-1-yl]benzoate
CID 134540950
bis(propyl 4-hydroxybenzoate);zinc
CID 131880799
butyl 4-[[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazenyl]benzoate
CID 129101711
propyl 4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate
CID 27000034

Frequently Asked Questions

What is the IUPAC name of propyl 4-imidazolidin-1-ylbenzoate?
The IUPAC name of propyl 4-imidazolidin-1-ylbenzoate (CID 141172883) is propyl 4-imidazolidin-1-ylbenzoate.
What is the SMILES notation for propyl 4-imidazolidin-1-ylbenzoate?
The canonical SMILES for propyl 4-imidazolidin-1-ylbenzoate is CCCOC(=O)c1ccc(N2CCNC2)cc1.
What is the InChIKey of propyl 4-imidazolidin-1-ylbenzoate?
The InChIKey is FOTZBQQMVQWKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-9-17-13(16)11-3-5-12(6-4-11)15-8-7-14-10-15/h3-6,14H,2,7-10H2,1H3.
What are the key properties of propyl 4-imidazolidin-1-ylbenzoate?
propyl 4-imidazolidin-1-ylbenzoate has a molecular weight of 234.30 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-imidazolidin-1-ylbenzoate is sourced from PubChem (CID 141172883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).