1-(3-propan-2-ylimidazol-4-yl)-2-propoxyethanol

C11H20N2O2 — CID 79566864

IUPAC1-(3-propan-2-ylimidazol-4-yl)-2-propoxyethanol
SMILESCCCOCC(O)c1cncn1C(C)C
InChIInChI=1S/C11H20N2O2/c1-4-5-15-7-11(14)10-6-12-8-13(10)9(2)3/h6,8-9,11,14H,4-5,7H2,1-3H3
InChIKeyUCMGQTBGSAIEPN-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.92
Rot. Bonds6

About 1-(3-propan-2-ylimidazol-4-yl)-2-propoxyethanol

1-(3-propan-2-ylimidazol-4-yl)-2-propoxyethanol (PubChem CID 79566864) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(3-propan-2-ylimidazol-4-yl)-2-propoxyethanol.

Molecular Properties

Compound Name1-(3-propan-2-ylimidazol-4-yl)-2-propoxyethanol
PubChem CID79566864
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-(3-propan-2-ylimidazol-4-yl)-2-propoxyethanol
SMILESCCCOCC(O)c1cncn1C(C)C
InChIInChI=1S/C11H20N2O2/c1-4-5-15-7-11(14)10-6-12-8-13(10)9(2)3/h6,8-9,11,14H,4-5,7H2,1-3H3
InChIKeyUCMGQTBGSAIEPN-UHFFFAOYSA-N
XLogP1.92
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(3-propan-2-ylimidazol-4-yl)-2-propoxyethanol 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-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66162644
3-ethyl-1-(3-propan-2-ylimidazol-4-yl)heptan-1-ol
CID 66164626
4-hydroxy-2-methyl-4-(3-propan-2-ylimidazol-4-yl)butanoic acid
CID 66130717
3-cyclopropyl-1-(3-propan-2-ylimidazol-4-yl)propan-1-ol
CID 106590501
2-(2-methoxyphenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66162236
2-(1-pentan-3-ylpyrazol-3-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66163237
1-(3-ethylimidazol-4-yl)-2-methoxyethanol
CID 79566598
2-(3,4-dimethylphenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66164033
1-(3-propan-2-ylimidazol-4-yl)-2-thiophen-3-ylethanol
CID 66162635
2-(3,4-difluorophenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 82920072
1-(3-cyclopropylimidazol-4-yl)-2-ethoxyethanol
CID 79567273
ethyl 2-formamido-3-hydroxy-3-(3-propan-2-ylimidazol-4-yl)propanoate
CID 66205117

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-ylimidazol-4-yl)-2-propoxyethanol?
The IUPAC name of 1-(3-propan-2-ylimidazol-4-yl)-2-propoxyethanol (CID 79566864) is 1-(3-propan-2-ylimidazol-4-yl)-2-propoxyethanol.
What is the SMILES notation for 1-(3-propan-2-ylimidazol-4-yl)-2-propoxyethanol?
The canonical SMILES for 1-(3-propan-2-ylimidazol-4-yl)-2-propoxyethanol is CCCOCC(O)c1cncn1C(C)C.
What is the InChIKey of 1-(3-propan-2-ylimidazol-4-yl)-2-propoxyethanol?
The InChIKey is UCMGQTBGSAIEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-4-5-15-7-11(14)10-6-12-8-13(10)9(2)3/h6,8-9,11,14H,4-5,7H2,1-3H3.
What are the key properties of 1-(3-propan-2-ylimidazol-4-yl)-2-propoxyethanol?
1-(3-propan-2-ylimidazol-4-yl)-2-propoxyethanol has a molecular weight of 212.29 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-ylimidazol-4-yl)-2-propoxyethanol is sourced from PubChem (CID 79566864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).