1-[2-(oxan-3-yl)ethyl]-2-(3-propan-2-ylimidazol-4-yl)imidazole

C16H24N4O — CID 154571525

IUPAC1-[2-(oxan-3-yl)ethyl]-2-(3-propan-2-ylimidazol-4-yl)imidazole
SMILESCC(C)n1cncc1-c1nccn1CCC1CCCOC1
InChIInChI=1S/C16H24N4O/c1-13(2)20-12-17-10-15(20)16-18-6-8-19(16)7-5-14-4-3-9-21-11-14/h6,8,10,12-14H,3-5,7,9,11H2,1-2H3
InChIKeyGVGCVBBIPYFMFC-UHFFFAOYSA-N
MW288.40 g/mol
LogP3.14
Rot. Bonds5

About 1-[2-(oxan-3-yl)ethyl]-2-(3-propan-2-ylimidazol-4-yl)imidazole

1-[2-(oxan-3-yl)ethyl]-2-(3-propan-2-ylimidazol-4-yl)imidazole (PubChem CID 154571525) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 1-[2-(oxan-3-yl)ethyl]-2-(3-propan-2-ylimidazol-4-yl)imidazole.

Molecular Properties

Compound Name1-[2-(oxan-3-yl)ethyl]-2-(3-propan-2-ylimidazol-4-yl)imidazole
PubChem CID154571525
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name1-[2-(oxan-3-yl)ethyl]-2-(3-propan-2-ylimidazol-4-yl)imidazole
SMILESCC(C)n1cncc1-c1nccn1CCC1CCCOC1
InChIInChI=1S/C16H24N4O/c1-13(2)20-12-17-10-15(20)16-18-6-8-19(16)7-5-14-4-3-9-21-11-14/h6,8,10,12-14H,3-5,7,9,11H2,1-2H3
InChIKeyGVGCVBBIPYFMFC-UHFFFAOYSA-N
XLogP3.14
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-(oxan-3-yl)ethyl]-2-(3-propan-2-ylimidazol-4-yl)imidazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxan-3-yl)ethyl]-2-(3-propan-2-ylimidazol-4-yl)imidazole?
The IUPAC name of 1-[2-(oxan-3-yl)ethyl]-2-(3-propan-2-ylimidazol-4-yl)imidazole (CID 154571525) is 1-[2-(oxan-3-yl)ethyl]-2-(3-propan-2-ylimidazol-4-yl)imidazole.
What is the SMILES notation for 1-[2-(oxan-3-yl)ethyl]-2-(3-propan-2-ylimidazol-4-yl)imidazole?
The canonical SMILES for 1-[2-(oxan-3-yl)ethyl]-2-(3-propan-2-ylimidazol-4-yl)imidazole is CC(C)n1cncc1-c1nccn1CCC1CCCOC1.
What is the InChIKey of 1-[2-(oxan-3-yl)ethyl]-2-(3-propan-2-ylimidazol-4-yl)imidazole?
The InChIKey is GVGCVBBIPYFMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-13(2)20-12-17-10-15(20)16-18-6-8-19(16)7-5-14-4-3-9-21-11-14/h6,8,10,12-14H,3-5,7,9,11H2,1-2H3.
What are the key properties of 1-[2-(oxan-3-yl)ethyl]-2-(3-propan-2-ylimidazol-4-yl)imidazole?
1-[2-(oxan-3-yl)ethyl]-2-(3-propan-2-ylimidazol-4-yl)imidazole has a molecular weight of 288.40 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxan-3-yl)ethyl]-2-(3-propan-2-ylimidazol-4-yl)imidazole is sourced from PubChem (CID 154571525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).