3-[4-(hydroxymethyl)imidazol-1-yl]nonan-2-ol

C13H24N2O2 — CID 14888756

IUPAC3-[4-(hydroxymethyl)imidazol-1-yl]nonan-2-ol
SMILESCCCCCCC(C(C)O)n1cnc(CO)c1
InChIInChI=1S/C13H24N2O2/c1-3-4-5-6-7-13(11(2)17)15-8-12(9-16)14-10-15/h8,10-11,13,16-17H,3-7,9H2,1-2H3
InChIKeyCDVIUGQUHCYOPP-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.27
Rot. Bonds8

About 3-[4-(hydroxymethyl)imidazol-1-yl]nonan-2-ol

3-[4-(hydroxymethyl)imidazol-1-yl]nonan-2-ol (PubChem CID 14888756) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-[4-(hydroxymethyl)imidazol-1-yl]nonan-2-ol.

Molecular Properties

Compound Name3-[4-(hydroxymethyl)imidazol-1-yl]nonan-2-ol
PubChem CID14888756
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-[4-(hydroxymethyl)imidazol-1-yl]nonan-2-ol
SMILESCCCCCCC(C(C)O)n1cnc(CO)c1
InChIInChI=1S/C13H24N2O2/c1-3-4-5-6-7-13(11(2)17)15-8-12(9-16)14-10-15/h8,10-11,13,16-17H,3-7,9H2,1-2H3
InChIKeyCDVIUGQUHCYOPP-UHFFFAOYSA-N
XLogP2.27
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(hydroxymethyl)imidazol-1-yl]nonan-2-ol?
The IUPAC name of 3-[4-(hydroxymethyl)imidazol-1-yl]nonan-2-ol (CID 14888756) is 3-[4-(hydroxymethyl)imidazol-1-yl]nonan-2-ol.
What is the SMILES notation for 3-[4-(hydroxymethyl)imidazol-1-yl]nonan-2-ol?
The canonical SMILES for 3-[4-(hydroxymethyl)imidazol-1-yl]nonan-2-ol is CCCCCCC(C(C)O)n1cnc(CO)c1.
What is the InChIKey of 3-[4-(hydroxymethyl)imidazol-1-yl]nonan-2-ol?
The InChIKey is CDVIUGQUHCYOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-4-5-6-7-13(11(2)17)15-8-12(9-16)14-10-15/h8,10-11,13,16-17H,3-7,9H2,1-2H3.
What are the key properties of 3-[4-(hydroxymethyl)imidazol-1-yl]nonan-2-ol?
3-[4-(hydroxymethyl)imidazol-1-yl]nonan-2-ol has a molecular weight of 240.35 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(hydroxymethyl)imidazol-1-yl]nonan-2-ol is sourced from PubChem (CID 14888756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).