N-[2-[benzyl(methyl)amino]ethyl]-2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide

C22H27ClN4O2 — CID 3241689

IUPACN-[2-[benzyl(methyl)amino]ethyl]-2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
SMILESCN(CCNC(=O)CN1CCN(Cc2ccccc2Cl)C1=O)Cc1ccccc1
InChIInChI=1S/C22H27ClN4O2/c1-25(15-18-7-3-2-4-8-18)12-11-24-21(28)17-27-14-13-26(22(27)29)16-19-9-5-6-10-20(19)23/h2-10H,11-17H2,1H3,(H,24,28)
InChIKeyAODPEJRUWIFPQS-UHFFFAOYSA-N
MW414.94 g/mol
LogP2.83
Rot. Bonds9

About N-[2-[benzyl(methyl)amino]ethyl]-2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide

N-[2-[benzyl(methyl)amino]ethyl]-2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide (PubChem CID 3241689) has the molecular formula C22H27ClN4O2 and a molecular weight of 414.94 g/mol. Its IUPAC name is N-[2-[benzyl(methyl)amino]ethyl]-2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-[benzyl(methyl)amino]ethyl]-2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
PubChem CID3241689
Molecular FormulaC22H27ClN4O2
Molecular Weight414.94 g/mol
Exact Mass414.18
IUPAC NameN-[2-[benzyl(methyl)amino]ethyl]-2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
SMILESCN(CCNC(=O)CN1CCN(Cc2ccccc2Cl)C1=O)Cc1ccccc1
InChIInChI=1S/C22H27ClN4O2/c1-25(15-18-7-3-2-4-8-18)12-11-24-21(28)17-27-14-13-26(22(27)29)16-19-9-5-6-10-20(19)23/h2-10H,11-17H2,1H3,(H,24,28)
InChIKeyAODPEJRUWIFPQS-UHFFFAOYSA-N
XLogP2.83
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(methyl)amino]ethyl]-2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[2-[benzyl(methyl)amino]ethyl]-2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide (CID 3241689) is N-[2-[benzyl(methyl)amino]ethyl]-2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[2-[benzyl(methyl)amino]ethyl]-2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[2-[benzyl(methyl)amino]ethyl]-2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide is CN(CCNC(=O)CN1CCN(Cc2ccccc2Cl)C1=O)Cc1ccccc1.
What is the InChIKey of N-[2-[benzyl(methyl)amino]ethyl]-2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide?
The InChIKey is AODPEJRUWIFPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O2/c1-25(15-18-7-3-2-4-8-18)12-11-24-21(28)17-27-14-13-26(22(27)29)16-19-9-5-6-10-20(19)23/h2-10H,11-17H2,1H3,(H,24,28).
What are the key properties of N-[2-[benzyl(methyl)amino]ethyl]-2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide?
N-[2-[benzyl(methyl)amino]ethyl]-2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide has a molecular weight of 414.94 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(methyl)amino]ethyl]-2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 3241689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).