(4S)-N-[(2S)-2-[(5-chloro-1-benzofuran-2-carbonyl)amino]propyl]-2-oxoimidazolidine-4-carboxamide

C16H17ClN4O4 — CID 166380391

IUPAC(4S)-N-[(2S)-2-[(5-chloro-1-benzofuran-2-carbonyl)amino]propyl]-2-oxoimidazolidine-4-carboxamide
SMILESC[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)NC(=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C16H17ClN4O4/c1-8(6-18-14(22)11-7-19-16(24)21-11)20-15(23)13-5-9-4-10(17)2-3-12(9)25-13/h2-5,8,11H,6-7H2,1H3,(H,18,22)(H,20,23)(H2,19,21,24)/t8-,11-/m0/s1
InChIKeyQYUASCIXALOVET-KWQFWETISA-N
MW364.79 g/mol
LogP1.00
Rot. Bonds5

About (4S)-N-[(2S)-2-[(5-chloro-1-benzofuran-2-carbonyl)amino]propyl]-2-oxoimidazolidine-4-carboxamide

(4S)-N-[(2S)-2-[(5-chloro-1-benzofuran-2-carbonyl)amino]propyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 166380391) has the molecular formula C16H17ClN4O4 and a molecular weight of 364.79 g/mol. Its IUPAC name is (4S)-N-[(2S)-2-[(5-chloro-1-benzofuran-2-carbonyl)amino]propyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(2S)-2-[(5-chloro-1-benzofuran-2-carbonyl)amino]propyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID166380391
Molecular FormulaC16H17ClN4O4
Molecular Weight364.79 g/mol
Exact Mass364.09
IUPAC Name(4S)-N-[(2S)-2-[(5-chloro-1-benzofuran-2-carbonyl)amino]propyl]-2-oxoimidazolidine-4-carboxamide
SMILESC[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)NC(=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C16H17ClN4O4/c1-8(6-18-14(22)11-7-19-16(24)21-11)20-15(23)13-5-9-4-10(17)2-3-12(9)25-13/h2-5,8,11H,6-7H2,1H3,(H,18,22)(H,20,23)(H2,19,21,24)/t8-,11-/m0/s1
InChIKeyQYUASCIXALOVET-KWQFWETISA-N
XLogP1.00
TPSA112.47 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 51.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(2S)-2-[(5-chloro-1-benzofuran-2-carbonyl)amino]propyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(2S)-2-[(5-chloro-1-benzofuran-2-carbonyl)amino]propyl]-2-oxoimidazolidine-4-carboxamide (CID 166380391) is (4S)-N-[(2S)-2-[(5-chloro-1-benzofuran-2-carbonyl)amino]propyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(2S)-2-[(5-chloro-1-benzofuran-2-carbonyl)amino]propyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(2S)-2-[(5-chloro-1-benzofuran-2-carbonyl)amino]propyl]-2-oxoimidazolidine-4-carboxamide is C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)NC(=O)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of (4S)-N-[(2S)-2-[(5-chloro-1-benzofuran-2-carbonyl)amino]propyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is QYUASCIXALOVET-KWQFWETISA-N. The full InChI is InChI=1S/C16H17ClN4O4/c1-8(6-18-14(22)11-7-19-16(24)21-11)20-15(23)13-5-9-4-10(17)2-3-12(9)25-13/h2-5,8,11H,6-7H2,1H3,(H,18,22)(H,20,23)(H2,19,21,24)/t8-,11-/m0/s1.
What are the key properties of (4S)-N-[(2S)-2-[(5-chloro-1-benzofuran-2-carbonyl)amino]propyl]-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[(2S)-2-[(5-chloro-1-benzofuran-2-carbonyl)amino]propyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 364.79 g/mol, XLogP of 1.00, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(2S)-2-[(5-chloro-1-benzofuran-2-carbonyl)amino]propyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 166380391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).