1-(2-hydroxyethyl)-3-[5-(2-hydroxyethylcarbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea

C11H22N6O5 — CID 3146909

IUPAC1-(2-hydroxyethyl)-3-[5-(2-hydroxyethylcarbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea
SMILESCN1C(=O)N(C)C(NC(=O)NCCO)C1NC(=O)NCCO
InChIInChI=1S/C11H22N6O5/c1-16-7(14-9(20)12-3-5-18)8(17(2)11(16)22)15-10(21)13-4-6-19/h7-8,18-19H,3-6H2,1-2H3,(H2,12,14,20)(H2,13,15,21)
InChIKeyODUIJMZKKQBFPW-UHFFFAOYSA-N
MW318.33 g/mol
LogP-2.78
Rot. Bonds6

About 1-(2-hydroxyethyl)-3-[5-(2-hydroxyethylcarbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea

1-(2-hydroxyethyl)-3-[5-(2-hydroxyethylcarbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea (PubChem CID 3146909) has the molecular formula C11H22N6O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[5-(2-hydroxyethylcarbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[5-(2-hydroxyethylcarbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea
PubChem CID3146909
Molecular FormulaC11H22N6O5
Molecular Weight318.33 g/mol
Exact Mass318.17
IUPAC Name1-(2-hydroxyethyl)-3-[5-(2-hydroxyethylcarbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea
SMILESCN1C(=O)N(C)C(NC(=O)NCCO)C1NC(=O)NCCO
InChIInChI=1S/C11H22N6O5/c1-16-7(14-9(20)12-3-5-18)8(17(2)11(16)22)15-10(21)13-4-6-19/h7-8,18-19H,3-6H2,1-2H3,(H2,12,14,20)(H2,13,15,21)
InChIKeyODUIJMZKKQBFPW-UHFFFAOYSA-N
XLogP-2.78
TPSA146.27 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.33
LogP ≤ 5-2.78
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[5-(2-hydroxyethylcarbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-[5-(2-hydroxyethylcarbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea (CID 3146909) is 1-(2-hydroxyethyl)-3-[5-(2-hydroxyethylcarbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[5-(2-hydroxyethylcarbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[5-(2-hydroxyethylcarbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea is CN1C(=O)N(C)C(NC(=O)NCCO)C1NC(=O)NCCO.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[5-(2-hydroxyethylcarbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea?
The InChIKey is ODUIJMZKKQBFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6O5/c1-16-7(14-9(20)12-3-5-18)8(17(2)11(16)22)15-10(21)13-4-6-19/h7-8,18-19H,3-6H2,1-2H3,(H2,12,14,20)(H2,13,15,21).
What are the key properties of 1-(2-hydroxyethyl)-3-[5-(2-hydroxyethylcarbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea?
1-(2-hydroxyethyl)-3-[5-(2-hydroxyethylcarbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea has a molecular weight of 318.33 g/mol, XLogP of -2.78, 6 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[5-(2-hydroxyethylcarbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea is sourced from PubChem (CID 3146909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).