3-[2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]imidazolidine-2,4-dione

C12H22N4O3 — CID 106618012

IUPAC3-[2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCN(CCO)CC1CCCN1
InChIInChI=1S/C12H22N4O3/c17-7-6-15(9-10-2-1-3-13-10)4-5-16-11(18)8-14-12(16)19/h10,13,17H,1-9H2,(H,14,19)
InChIKeyRQCLJTXXALVBGR-UHFFFAOYSA-N
MW270.33 g/mol
LogP-1.42
Rot. Bonds7

About 3-[2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]imidazolidine-2,4-dione

3-[2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]imidazolidine-2,4-dione (PubChem CID 106618012) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-[2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]imidazolidine-2,4-dione
PubChem CID106618012
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name3-[2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCN(CCO)CC1CCCN1
InChIInChI=1S/C12H22N4O3/c17-7-6-15(9-10-2-1-3-13-10)4-5-16-11(18)8-14-12(16)19/h10,13,17H,1-9H2,(H,14,19)
InChIKeyRQCLJTXXALVBGR-UHFFFAOYSA-N
XLogP-1.42
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[propyl(pyrrolidin-2-ylmethyl)amino]ethyl]pyrrolidine-2,5-dione
CID 106615759
2-[2-(dimethylamino)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618094
1-[2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]ethyl]pyrrolidine-2,5-dione
CID 106617112
2-[2-ethylsulfonylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618300
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106617908
2-[2-phenylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606786
2-[(4-methyl-1,2,4-triazol-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618380
5,5-dimethyl-3-[2-[propyl(pyrrolidin-2-ylmethyl)amino]ethyl]imidazolidine-2,4-dione
CID 106615832
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-piperidin-1-ylethanone
CID 106618152
4-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzoic acid
CID 106617921
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 106618351
3-[[(2S)-pyrrolidin-2-yl]methyl]-2-sulfanylideneimidazolidin-4-one
CID 53381836

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]imidazolidine-2,4-dione (CID 106618012) is 3-[2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]imidazolidine-2,4-dione is O=C1CNC(=O)N1CCN(CCO)CC1CCCN1.
What is the InChIKey of 3-[2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]imidazolidine-2,4-dione?
The InChIKey is RQCLJTXXALVBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c17-7-6-15(9-10-2-1-3-13-10)4-5-16-11(18)8-14-12(16)19/h10,13,17H,1-9H2,(H,14,19).
What are the key properties of 3-[2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]imidazolidine-2,4-dione?
3-[2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]imidazolidine-2,4-dione has a molecular weight of 270.33 g/mol, XLogP of -1.42, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 106618012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).