2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide

C17H22ClN3O3 — CID 5309133

IUPAC2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN1CCN(Cc2ccccc2Cl)C1=O)NCC1CCCO1
InChIInChI=1S/C17H22ClN3O3/c18-15-6-2-1-4-13(15)11-20-7-8-21(17(20)23)12-16(22)19-10-14-5-3-9-24-14/h1-2,4,6,14H,3,5,7-12H2,(H,19,22)
InChIKeyASYJTYNCVSTHIA-UHFFFAOYSA-N
MW351.83 g/mol
LogP1.87
Rot. Bonds6

About 2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide

2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 5309133) has the molecular formula C17H22ClN3O3 and a molecular weight of 351.83 g/mol. Its IUPAC name is 2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID5309133
Molecular FormulaC17H22ClN3O3
Molecular Weight351.83 g/mol
Exact Mass351.13
IUPAC Name2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN1CCN(Cc2ccccc2Cl)C1=O)NCC1CCCO1
InChIInChI=1S/C17H22ClN3O3/c18-15-6-2-1-4-13(15)11-20-7-8-21(17(20)23)12-16(22)19-10-14-5-3-9-24-14/h1-2,4,6,14H,3,5,7-12H2,(H,19,22)
InChIKeyASYJTYNCVSTHIA-UHFFFAOYSA-N
XLogP1.87
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide (CID 5309133) is 2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide is O=C(CN1CCN(Cc2ccccc2Cl)C1=O)NCC1CCCO1.
What is the InChIKey of 2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is ASYJTYNCVSTHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O3/c18-15-6-2-1-4-13(15)11-20-7-8-21(17(20)23)12-16(22)19-10-14-5-3-9-24-14/h1-2,4,6,14H,3,5,7-12H2,(H,19,22).
What are the key properties of 2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 351.83 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 5309133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).