3-[[bis(2-hydroxyethyl)amino]methyl]-1-chloro-5,5-dimethylimidazolidine-2,4-dione

C10H18ClN3O4 — CID 101266534

IUPAC3-[[bis(2-hydroxyethyl)amino]methyl]-1-chloro-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(CN(CCO)CCO)C(=O)N1Cl
InChIInChI=1S/C10H18ClN3O4/c1-10(2)8(17)13(9(18)14(10)11)7-12(3-5-15)4-6-16/h15-16H,3-7H2,1-2H3
InChIKeyABNHYUPKUCQZSA-UHFFFAOYSA-N
MW279.72 g/mol
LogP-0.57
Rot. Bonds6

About 3-[[bis(2-hydroxyethyl)amino]methyl]-1-chloro-5,5-dimethylimidazolidine-2,4-dione

3-[[bis(2-hydroxyethyl)amino]methyl]-1-chloro-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 101266534) has the molecular formula C10H18ClN3O4 and a molecular weight of 279.72 g/mol. Its IUPAC name is 3-[[bis(2-hydroxyethyl)amino]methyl]-1-chloro-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[bis(2-hydroxyethyl)amino]methyl]-1-chloro-5,5-dimethylimidazolidine-2,4-dione
PubChem CID101266534
Molecular FormulaC10H18ClN3O4
Molecular Weight279.72 g/mol
Exact Mass279.10
IUPAC Name3-[[bis(2-hydroxyethyl)amino]methyl]-1-chloro-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(CN(CCO)CCO)C(=O)N1Cl
InChIInChI=1S/C10H18ClN3O4/c1-10(2)8(17)13(9(18)14(10)11)7-12(3-5-15)4-6-16/h15-16H,3-7H2,1-2H3
InChIKeyABNHYUPKUCQZSA-UHFFFAOYSA-N
XLogP-0.57
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethanesulfonic acid
CID 46206905
2-[3-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-dimethylazaniumyl]acetate
CID 155523927
1-chloro-5,5-dimethyl-3-[2-(2-propan-2-yloxyethylsulfanyl)ethyl]imidazolidine-2,4-dione
CID 163858461
4-[[bis(2-hydroxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
CID 79933125
3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanal
CID 20725533
3-[(2S)-3-(dipropylamino)-2-hydroxypropyl]-1-[[3-[(2S)-3-(dipropylamino)-2-hydroxypropyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 92534506
4-chloro-1-(2-hydroxyethyl)-3,3,5,5-tetramethylpiperazin-2-one
CID 54582542
(3aS,6R,6aS)-1,3,4,6-tetrakis[[bis(2-hydroxyethyl)amino]methyl]-6,6a-dihydro-3aH-pyrrolo[2,3-d]imidazole-2,5-dione
CID 98152109
5-hexyl-1,3-bis(2-hydroxyethyl)-5-methylimidazolidine-2,4-dione
CID 21324143
1-chloro-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2,2,5,5-tetramethylimidazolidin-4-one
CID 87691473
2-[bis[3-[bis(2-hydroxyethyl)amino]propyl]amino]ethanol
CID 167139785
2-[bis(2-hydroxyethyl)amino]ethanol;propane
CID 160839946

Frequently Asked Questions

What is the IUPAC name of 3-[[bis(2-hydroxyethyl)amino]methyl]-1-chloro-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[[bis(2-hydroxyethyl)amino]methyl]-1-chloro-5,5-dimethylimidazolidine-2,4-dione (CID 101266534) is 3-[[bis(2-hydroxyethyl)amino]methyl]-1-chloro-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[bis(2-hydroxyethyl)amino]methyl]-1-chloro-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[bis(2-hydroxyethyl)amino]methyl]-1-chloro-5,5-dimethylimidazolidine-2,4-dione is CC1(C)C(=O)N(CN(CCO)CCO)C(=O)N1Cl.
What is the InChIKey of 3-[[bis(2-hydroxyethyl)amino]methyl]-1-chloro-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is ABNHYUPKUCQZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3O4/c1-10(2)8(17)13(9(18)14(10)11)7-12(3-5-15)4-6-16/h15-16H,3-7H2,1-2H3.
What are the key properties of 3-[[bis(2-hydroxyethyl)amino]methyl]-1-chloro-5,5-dimethylimidazolidine-2,4-dione?
3-[[bis(2-hydroxyethyl)amino]methyl]-1-chloro-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 279.72 g/mol, XLogP of -0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[bis(2-hydroxyethyl)amino]methyl]-1-chloro-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 101266534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).