1-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)-3,3-dimethylurea

C17H23ClN4O4 — CID 3885027

IUPAC1-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)-3,3-dimethylurea
SMILESCOCCN(CC(=O)N1CC(=O)N(c2ccc(Cl)cc2)C1)C(=O)N(C)C
InChIInChI=1S/C17H23ClN4O4/c1-19(2)17(25)20(8-9-26-3)10-15(23)21-11-16(24)22(12-21)14-6-4-13(18)5-7-14/h4-7H,8-12H2,1-3H3
InChIKeyBRUCDMXCLXXZDK-UHFFFAOYSA-N
MW382.85 g/mol
LogP1.10
Rot. Bonds6

About 1-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)-3,3-dimethylurea

1-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)-3,3-dimethylurea (PubChem CID 3885027) has the molecular formula C17H23ClN4O4 and a molecular weight of 382.85 g/mol. Its IUPAC name is 1-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)-3,3-dimethylurea.

Molecular Properties

Compound Name1-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)-3,3-dimethylurea
PubChem CID3885027
Molecular FormulaC17H23ClN4O4
Molecular Weight382.85 g/mol
Exact Mass382.14
IUPAC Name1-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)-3,3-dimethylurea
SMILESCOCCN(CC(=O)N1CC(=O)N(c2ccc(Cl)cc2)C1)C(=O)N(C)C
InChIInChI=1S/C17H23ClN4O4/c1-19(2)17(25)20(8-9-26-3)10-15(23)21-11-16(24)22(12-21)14-6-4-13(18)5-7-14/h4-7H,8-12H2,1-3H3
InChIKeyBRUCDMXCLXXZDK-UHFFFAOYSA-N
XLogP1.10
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)-3,3-dimethylurea?
The IUPAC name of 1-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)-3,3-dimethylurea (CID 3885027) is 1-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)-3,3-dimethylurea.
What is the SMILES notation for 1-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)-3,3-dimethylurea?
The canonical SMILES for 1-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)-3,3-dimethylurea is COCCN(CC(=O)N1CC(=O)N(c2ccc(Cl)cc2)C1)C(=O)N(C)C.
What is the InChIKey of 1-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)-3,3-dimethylurea?
The InChIKey is BRUCDMXCLXXZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O4/c1-19(2)17(25)20(8-9-26-3)10-15(23)21-11-16(24)22(12-21)14-6-4-13(18)5-7-14/h4-7H,8-12H2,1-3H3.
What are the key properties of 1-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)-3,3-dimethylurea?
1-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)-3,3-dimethylurea has a molecular weight of 382.85 g/mol, XLogP of 1.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)-3,3-dimethylurea is sourced from PubChem (CID 3885027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).