(3-decylimidazol-4-yl)methanol

C14H26N2O — CID 18670927

IUPAC(3-decylimidazol-4-yl)methanol
SMILESCCCCCCCCCCn1cncc1CO
InChIInChI=1S/C14H26N2O/c1-2-3-4-5-6-7-8-9-10-16-13-15-11-14(16)12-17/h11,13,17H,2-10,12H2,1H3
InChIKeyPQSDBSQJMAPYRJ-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.52
Rot. Bonds10

About (3-decylimidazol-4-yl)methanol

(3-decylimidazol-4-yl)methanol (PubChem CID 18670927) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (3-decylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(3-decylimidazol-4-yl)methanol
PubChem CID18670927
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(3-decylimidazol-4-yl)methanol
SMILESCCCCCCCCCCn1cncc1CO
InChIInChI=1S/C14H26N2O/c1-2-3-4-5-6-7-8-9-10-16-13-15-11-14(16)12-17/h11,13,17H,2-10,12H2,1H3
InChIKeyPQSDBSQJMAPYRJ-UHFFFAOYSA-N
XLogP3.52
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-decylimidazol-4-yl)methanol?
The IUPAC name of (3-decylimidazol-4-yl)methanol (CID 18670927) is (3-decylimidazol-4-yl)methanol.
What is the SMILES notation for (3-decylimidazol-4-yl)methanol?
The canonical SMILES for (3-decylimidazol-4-yl)methanol is CCCCCCCCCCn1cncc1CO.
What is the InChIKey of (3-decylimidazol-4-yl)methanol?
The InChIKey is PQSDBSQJMAPYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-2-3-4-5-6-7-8-9-10-16-13-15-11-14(16)12-17/h11,13,17H,2-10,12H2,1H3.
What are the key properties of (3-decylimidazol-4-yl)methanol?
(3-decylimidazol-4-yl)methanol has a molecular weight of 238.37 g/mol, XLogP of 3.52, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-decylimidazol-4-yl)methanol is sourced from PubChem (CID 18670927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).