4,5-dibutoxy-1,3-dimethylimidazolidin-2-one

C13H26N2O3 — CID 14836211

IUPAC4,5-dibutoxy-1,3-dimethylimidazolidin-2-one
SMILESCCCCOC1C(OCCCC)N(C)C(=O)N1C
InChIInChI=1S/C13H26N2O3/c1-5-7-9-17-11-12(18-10-8-6-2)15(4)13(16)14(11)3/h11-12H,5-10H2,1-4H3
InChIKeyHIBSGSDXOYLYTH-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.27
Rot. Bonds8

About 4,5-dibutoxy-1,3-dimethylimidazolidin-2-one

4,5-dibutoxy-1,3-dimethylimidazolidin-2-one (PubChem CID 14836211) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 4,5-dibutoxy-1,3-dimethylimidazolidin-2-one.

Molecular Properties

Compound Name4,5-dibutoxy-1,3-dimethylimidazolidin-2-one
PubChem CID14836211
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name4,5-dibutoxy-1,3-dimethylimidazolidin-2-one
SMILESCCCCOC1C(OCCCC)N(C)C(=O)N1C
InChIInChI=1S/C13H26N2O3/c1-5-7-9-17-11-12(18-10-8-6-2)15(4)13(16)14(11)3/h11-12H,5-10H2,1-4H3
InChIKeyHIBSGSDXOYLYTH-UHFFFAOYSA-N
XLogP2.27
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,5-dibutoxy-1,3-dimethylimidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Imidazolidinone, 4,5-dimethoxy-1,3-bis(methoxymethyl)-
CID 107270
2-Imidazolidinone, 4,5-dibutoxy-
CID 21781
2-Imidazolidinone, 4,5-dimethoxy-1,3-dimethyl-
CID 114529
4,5-Dipropoxy-4,5-dihydro-1H-imidazol-2-ol
CID 56107
1,3-Diethyl-2-oxoimidazolidine-4,5-diyl diacetate
CID 5113021
3-(1-Ethoxypropan-2-yl)-4-fluoro-1-[2-(2-methoxyethoxy)ethyl]imidazolidin-2-one
CID 139925742
1-Butyl-4,5-diethoxy-3-propylimidazolidin-2-one
CID 14836213
4,5-Diisopropoxy-1-butyl-3-propylimidazolidin-2-one
CID 14836216
1-Butyl-3-(2-ethoxyethyl)imidazolidin-2-one
CID 14836226
1-(3-Ethoxypropyl)-3-(2-methoxyethyl)imidazolidin-2-one
CID 14836228
1-(2-Ethoxyethyl)-3-ethylimidazolidin-2-one
CID 18386725
1,3-Bis(hydroxymethyl)-4,5-dipropoxyimidazolidin-2-one
CID 20161063

Frequently Asked Questions

What is the IUPAC name of 4,5-dibutoxy-1,3-dimethylimidazolidin-2-one?
The IUPAC name of 4,5-dibutoxy-1,3-dimethylimidazolidin-2-one (CID 14836211) is 4,5-dibutoxy-1,3-dimethylimidazolidin-2-one.
What is the SMILES notation for 4,5-dibutoxy-1,3-dimethylimidazolidin-2-one?
The canonical SMILES for 4,5-dibutoxy-1,3-dimethylimidazolidin-2-one is CCCCOC1C(OCCCC)N(C)C(=O)N1C.
What is the InChIKey of 4,5-dibutoxy-1,3-dimethylimidazolidin-2-one?
The InChIKey is HIBSGSDXOYLYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-5-7-9-17-11-12(18-10-8-6-2)15(4)13(16)14(11)3/h11-12H,5-10H2,1-4H3.
What are the key properties of 4,5-dibutoxy-1,3-dimethylimidazolidin-2-one?
4,5-dibutoxy-1,3-dimethylimidazolidin-2-one has a molecular weight of 258.36 g/mol, XLogP of 2.27, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibutoxy-1,3-dimethylimidazolidin-2-one is sourced from PubChem (CID 14836211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).