2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide

C18H26ClN3O3 — CID 20851422

IUPAC2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CN1CCN(Cc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C18H26ClN3O3/c1-14(2)25-11-3-8-20-17(23)13-22-10-9-21(18(22)24)12-15-4-6-16(19)7-5-15/h4-7,14H,3,8-13H2,1-2H3,(H,20,23)
InChIKeyLILHXKYFUOCZRD-UHFFFAOYSA-N
MW367.88 g/mol
LogP2.51
Rot. Bonds9

About 2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide

2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 20851422) has the molecular formula C18H26ClN3O3 and a molecular weight of 367.88 g/mol. Its IUPAC name is 2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID20851422
Molecular FormulaC18H26ClN3O3
Molecular Weight367.88 g/mol
Exact Mass367.17
IUPAC Name2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CN1CCN(Cc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C18H26ClN3O3/c1-14(2)25-11-3-8-20-17(23)13-22-10-9-21(18(22)24)12-15-4-6-16(19)7-5-15/h4-7,14H,3,8-13H2,1-2H3,(H,20,23)
InChIKeyLILHXKYFUOCZRD-UHFFFAOYSA-N
XLogP2.51
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide (CID 20851422) is 2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide is CC(C)OCCCNC(=O)CN1CCN(Cc2ccc(Cl)cc2)C1=O.
What is the InChIKey of 2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is LILHXKYFUOCZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O3/c1-14(2)25-11-3-8-20-17(23)13-22-10-9-21(18(22)24)12-15-4-6-16(19)7-5-15/h4-7,14H,3,8-13H2,1-2H3,(H,20,23).
What are the key properties of 2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide?
2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 367.88 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 20851422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).