1-butyl-5-[4-(2-hydroxyethyl)piperazin-1-yl]imidazolidin-2-one

C13H26N4O2 — CID 23207634

IUPAC1-butyl-5-[4-(2-hydroxyethyl)piperazin-1-yl]imidazolidin-2-one
SMILESCCCCN1C(=O)NCC1N1CCN(CCO)CC1
InChIInChI=1S/C13H26N4O2/c1-2-3-4-17-12(11-14-13(17)19)16-7-5-15(6-8-16)9-10-18/h12,18H,2-11H2,1H3,(H,14,19)
InChIKeyWCMWZSPPZOOPOB-UHFFFAOYSA-N
MW270.38 g/mol
LogP-0.25
Rot. Bonds6

About 1-butyl-5-[4-(2-hydroxyethyl)piperazin-1-yl]imidazolidin-2-one

1-butyl-5-[4-(2-hydroxyethyl)piperazin-1-yl]imidazolidin-2-one (PubChem CID 23207634) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-butyl-5-[4-(2-hydroxyethyl)piperazin-1-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-butyl-5-[4-(2-hydroxyethyl)piperazin-1-yl]imidazolidin-2-one
PubChem CID23207634
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Name1-butyl-5-[4-(2-hydroxyethyl)piperazin-1-yl]imidazolidin-2-one
SMILESCCCCN1C(=O)NCC1N1CCN(CCO)CC1
InChIInChI=1S/C13H26N4O2/c1-2-3-4-17-12(11-14-13(17)19)16-7-5-15(6-8-16)9-10-18/h12,18H,2-11H2,1H3,(H,14,19)
InChIKeyWCMWZSPPZOOPOB-UHFFFAOYSA-N
XLogP-0.25
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-[4-(2-hydroxyethyl)piperazin-1-yl]imidazolidin-2-one?
The IUPAC name of 1-butyl-5-[4-(2-hydroxyethyl)piperazin-1-yl]imidazolidin-2-one (CID 23207634) is 1-butyl-5-[4-(2-hydroxyethyl)piperazin-1-yl]imidazolidin-2-one.
What is the SMILES notation for 1-butyl-5-[4-(2-hydroxyethyl)piperazin-1-yl]imidazolidin-2-one?
The canonical SMILES for 1-butyl-5-[4-(2-hydroxyethyl)piperazin-1-yl]imidazolidin-2-one is CCCCN1C(=O)NCC1N1CCN(CCO)CC1.
What is the InChIKey of 1-butyl-5-[4-(2-hydroxyethyl)piperazin-1-yl]imidazolidin-2-one?
The InChIKey is WCMWZSPPZOOPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-2-3-4-17-12(11-14-13(17)19)16-7-5-15(6-8-16)9-10-18/h12,18H,2-11H2,1H3,(H,14,19).
What are the key properties of 1-butyl-5-[4-(2-hydroxyethyl)piperazin-1-yl]imidazolidin-2-one?
1-butyl-5-[4-(2-hydroxyethyl)piperazin-1-yl]imidazolidin-2-one has a molecular weight of 270.38 g/mol, XLogP of -0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-[4-(2-hydroxyethyl)piperazin-1-yl]imidazolidin-2-one is sourced from PubChem (CID 23207634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).