ethyl 3-[[2-[2-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-1-yl]acetyl]amino]benzoate

C24H26N4O4 — CID 645491

IUPACethyl 3-[[2-[2-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-1-yl]acetyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)Cn2c(CC(=O)N3CCCC3)nc3ccccc32)c1
InChIInChI=1S/C24H26N4O4/c1-2-32-24(31)17-8-7-9-18(14-17)25-22(29)16-28-20-11-4-3-10-19(20)26-21(28)15-23(30)27-12-5-6-13-27/h3-4,7-11,14H,2,5-6,12-13,15-16H2,1H3,(H,25,29)
InChIKeyFPBDXXQILJRRFU-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.02
Rot. Bonds7

About ethyl 3-[[2-[2-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-1-yl]acetyl]amino]benzoate

ethyl 3-[[2-[2-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-1-yl]acetyl]amino]benzoate (PubChem CID 645491) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is ethyl 3-[[2-[2-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-1-yl]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[[2-[2-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-1-yl]acetyl]amino]benzoate
PubChem CID645491
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Nameethyl 3-[[2-[2-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-1-yl]acetyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)Cn2c(CC(=O)N3CCCC3)nc3ccccc32)c1
InChIInChI=1S/C24H26N4O4/c1-2-32-24(31)17-8-7-9-18(14-17)25-22(29)16-28-20-11-4-3-10-19(20)26-21(28)15-23(30)27-12-5-6-13-27/h3-4,7-11,14H,2,5-6,12-13,15-16H2,1H3,(H,25,29)
InChIKeyFPBDXXQILJRRFU-UHFFFAOYSA-N
XLogP3.02
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-[2-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-1-yl]acetyl]amino]benzoate?
The IUPAC name of ethyl 3-[[2-[2-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-1-yl]acetyl]amino]benzoate (CID 645491) is ethyl 3-[[2-[2-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-1-yl]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 3-[[2-[2-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-1-yl]acetyl]amino]benzoate?
The canonical SMILES for ethyl 3-[[2-[2-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-1-yl]acetyl]amino]benzoate is CCOC(=O)c1cccc(NC(=O)Cn2c(CC(=O)N3CCCC3)nc3ccccc32)c1.
What is the InChIKey of ethyl 3-[[2-[2-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-1-yl]acetyl]amino]benzoate?
The InChIKey is FPBDXXQILJRRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-2-32-24(31)17-8-7-9-18(14-17)25-22(29)16-28-20-11-4-3-10-19(20)26-21(28)15-23(30)27-12-5-6-13-27/h3-4,7-11,14H,2,5-6,12-13,15-16H2,1H3,(H,25,29).
What are the key properties of ethyl 3-[[2-[2-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-1-yl]acetyl]amino]benzoate?
ethyl 3-[[2-[2-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-1-yl]acetyl]amino]benzoate has a molecular weight of 434.50 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-[2-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-1-yl]acetyl]amino]benzoate is sourced from PubChem (CID 645491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).