[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-chlorobenzoate

C16H12ClN3O4 — CID 24661319

IUPAC[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-chlorobenzoate
SMILESO=C(COC(=O)c1ccc(Cl)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H12ClN3O4/c17-10-3-1-9(2-4-10)15(22)24-8-14(21)18-11-5-6-12-13(7-11)20-16(23)19-12/h1-7H,8H2,(H,18,21)(H2,19,20,23)
InChIKeyFCPXLTFUHKNFLP-UHFFFAOYSA-N
MW345.74 g/mol
LogP2.31
Rot. Bonds4

About [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-chlorobenzoate

[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-chlorobenzoate (PubChem CID 24661319) has the molecular formula C16H12ClN3O4 and a molecular weight of 345.74 g/mol. Its IUPAC name is [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-chlorobenzoate.

Molecular Properties

Compound Name[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-chlorobenzoate
PubChem CID24661319
Molecular FormulaC16H12ClN3O4
Molecular Weight345.74 g/mol
Exact Mass345.05
IUPAC Name[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-chlorobenzoate
SMILESO=C(COC(=O)c1ccc(Cl)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H12ClN3O4/c17-10-3-1-9(2-4-10)15(22)24-8-14(21)18-11-5-6-12-13(7-11)20-16(23)19-12/h1-7H,8H2,(H,18,21)(H2,19,20,23)
InChIKeyFCPXLTFUHKNFLP-UHFFFAOYSA-N
XLogP2.31
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.74
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-chlorobenzoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-chlorobenzoate?
The IUPAC name of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-chlorobenzoate (CID 24661319) is [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-chlorobenzoate.
What is the SMILES notation for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-chlorobenzoate?
The canonical SMILES for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-chlorobenzoate is O=C(COC(=O)c1ccc(Cl)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-chlorobenzoate?
The InChIKey is FCPXLTFUHKNFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O4/c17-10-3-1-9(2-4-10)15(22)24-8-14(21)18-11-5-6-12-13(7-11)20-16(23)19-12/h1-7H,8H2,(H,18,21)(H2,19,20,23).
What are the key properties of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-chlorobenzoate?
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-chlorobenzoate has a molecular weight of 345.74 g/mol, XLogP of 2.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-chlorobenzoate is sourced from PubChem (CID 24661319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).