(1-nonan-2-ylimidazol-2-yl) hydrogen carbonate

C13H22N2O3 — CID 175008329

IUPAC(1-nonan-2-ylimidazol-2-yl) hydrogen carbonate
SMILESCCCCCCCC(C)n1ccnc1OC(=O)O
InChIInChI=1S/C13H22N2O3/c1-3-4-5-6-7-8-11(2)15-10-9-14-12(15)18-13(16)17/h9-11H,3-8H2,1-2H3,(H,16,17)
InChIKeyNBLYJEGZAUHZKH-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.86
Rot. Bonds8

About (1-nonan-2-ylimidazol-2-yl) hydrogen carbonate

(1-nonan-2-ylimidazol-2-yl) hydrogen carbonate (PubChem CID 175008329) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is (1-nonan-2-ylimidazol-2-yl) hydrogen carbonate.

Molecular Properties

Compound Name(1-nonan-2-ylimidazol-2-yl) hydrogen carbonate
PubChem CID175008329
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name(1-nonan-2-ylimidazol-2-yl) hydrogen carbonate
SMILESCCCCCCCC(C)n1ccnc1OC(=O)O
InChIInChI=1S/C13H22N2O3/c1-3-4-5-6-7-8-11(2)15-10-9-14-12(15)18-13(16)17/h9-11H,3-8H2,1-2H3,(H,16,17)
InChIKeyNBLYJEGZAUHZKH-UHFFFAOYSA-N
XLogP3.86
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1-nonan-2-ylimidazol-2-yl) hydrogen carbonate 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

N-methyl-1-octan-2-ylimidazol-2-amine
CID 106564926
1-nonadecan-2-yl-2-triacontan-12-ylimidazole
CID 69403792
1-nonadecan-2-yl-2-tridecan-2-ylimidazole
CID 69408935
2-nonacosan-15-yl-1-octan-2-ylimidazole
CID 69409721
1-octadecan-2-yl-2-pentacosan-13-ylimidazole
CID 69406789
2-nonacosan-12-yl-1-octadecan-2-ylimidazole
CID 69409675
2-docosan-10-yl-1-nonan-2-ylimidazole
CID 69405990
1-hexadecan-2-yl-2-pentacosan-10-ylimidazole
CID 69408468
1-pentadecan-2-yl-2-pentadecan-7-ylimidazole
CID 69405827
2-decan-2-yl-1-nonadecan-2-ylimidazole
CID 69408162
1-octan-2-yl-2-tridecan-2-ylimidazole
CID 69409116
2-henicosan-6-yl-1-nonadecan-2-ylimidazole
CID 69406536

Frequently Asked Questions

What is the IUPAC name of (1-nonan-2-ylimidazol-2-yl) hydrogen carbonate?
The IUPAC name of (1-nonan-2-ylimidazol-2-yl) hydrogen carbonate (CID 175008329) is (1-nonan-2-ylimidazol-2-yl) hydrogen carbonate.
What is the SMILES notation for (1-nonan-2-ylimidazol-2-yl) hydrogen carbonate?
The canonical SMILES for (1-nonan-2-ylimidazol-2-yl) hydrogen carbonate is CCCCCCCC(C)n1ccnc1OC(=O)O.
What is the InChIKey of (1-nonan-2-ylimidazol-2-yl) hydrogen carbonate?
The InChIKey is NBLYJEGZAUHZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-3-4-5-6-7-8-11(2)15-10-9-14-12(15)18-13(16)17/h9-11H,3-8H2,1-2H3,(H,16,17).
What are the key properties of (1-nonan-2-ylimidazol-2-yl) hydrogen carbonate?
(1-nonan-2-ylimidazol-2-yl) hydrogen carbonate has a molecular weight of 254.33 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-nonan-2-ylimidazol-2-yl) hydrogen carbonate is sourced from PubChem (CID 175008329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).