(2-chlorophenyl)methyl-ethyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium

C14H19ClN3O2+ — CID 53350257

IUPAC(2-chlorophenyl)methyl-ethyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium
SMILESCC[NH+](CC(=O)N1CCNC1=O)Cc1ccccc1Cl
InChIInChI=1S/C14H18ClN3O2/c1-2-17(9-11-5-3-4-6-12(11)15)10-13(19)18-8-7-16-14(18)20/h3-6H,2,7-10H2,1H3,(H,16,20)/p+1
InChIKeyACOFECRFLRZCGE-UHFFFAOYSA-O
MW296.78 g/mol
LogP0.30
Rot. Bonds5

About (2-chlorophenyl)methyl-ethyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium

(2-chlorophenyl)methyl-ethyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium (PubChem CID 53350257) has the molecular formula C14H19ClN3O2+ and a molecular weight of 296.78 g/mol. Its IUPAC name is (2-chlorophenyl)methyl-ethyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium.

Molecular Properties

Compound Name(2-chlorophenyl)methyl-ethyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium
PubChem CID53350257
Molecular FormulaC14H19ClN3O2+
Molecular Weight296.78 g/mol
Exact Mass296.12
IUPAC Name(2-chlorophenyl)methyl-ethyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium
SMILESCC[NH+](CC(=O)N1CCNC1=O)Cc1ccccc1Cl
InChIInChI=1S/C14H18ClN3O2/c1-2-17(9-11-5-3-4-6-12(11)15)10-13(19)18-8-7-16-14(18)20/h3-6H,2,7-10H2,1H3,(H,16,20)/p+1
InChIKeyACOFECRFLRZCGE-UHFFFAOYSA-O
XLogP0.30
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl-ethyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium?
The IUPAC name of (2-chlorophenyl)methyl-ethyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium (CID 53350257) is (2-chlorophenyl)methyl-ethyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium.
What is the SMILES notation for (2-chlorophenyl)methyl-ethyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium?
The canonical SMILES for (2-chlorophenyl)methyl-ethyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium is CC[NH+](CC(=O)N1CCNC1=O)Cc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)methyl-ethyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium?
The InChIKey is ACOFECRFLRZCGE-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H18ClN3O2/c1-2-17(9-11-5-3-4-6-12(11)15)10-13(19)18-8-7-16-14(18)20/h3-6H,2,7-10H2,1H3,(H,16,20)/p+1.
What are the key properties of (2-chlorophenyl)methyl-ethyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium?
(2-chlorophenyl)methyl-ethyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium has a molecular weight of 296.78 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl-ethyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium is sourced from PubChem (CID 53350257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).