[4-(hydroxymethyl)-2-phenyl-1H-imidazol-5-yl]methanol;2-undecyl-1H-imidazole

C25H38N4O2 — CID 162074216

IUPAC[4-(hydroxymethyl)-2-phenyl-1H-imidazol-5-yl]methanol;2-undecyl-1H-imidazole
SMILESCCCCCCCCCCCc1ncc[nH]1.OCc1nc(-c2ccccc2)[nH]c1CO
InChIInChI=1S/C14H26N2.C11H12N2O2/c1-2-3-4-5-6-7-8-9-10-11-14-15-12-13-16-14;14-6-9-10(7-15)13-11(12-9)8-4-2-1-3-5-8/h12-13H,2-11H2,1H3,(H,15,16);1-5,14-15H,6-7H2,(H,12,13)
InChIKeyZBMLNJOSLPJXIP-UHFFFAOYSA-N
MW426.61 g/mol
LogP5.54
Rot. Bonds13

About [4-(hydroxymethyl)-2-phenyl-1H-imidazol-5-yl]methanol;2-undecyl-1H-imidazole

[4-(hydroxymethyl)-2-phenyl-1H-imidazol-5-yl]methanol;2-undecyl-1H-imidazole (PubChem CID 162074216) has the molecular formula C25H38N4O2 and a molecular weight of 426.61 g/mol. Its IUPAC name is [4-(hydroxymethyl)-2-phenyl-1H-imidazol-5-yl]methanol;2-undecyl-1H-imidazole.

Molecular Properties

Compound Name[4-(hydroxymethyl)-2-phenyl-1H-imidazol-5-yl]methanol;2-undecyl-1H-imidazole
PubChem CID162074216
Molecular FormulaC25H38N4O2
Molecular Weight426.61 g/mol
Exact Mass426.30
IUPAC Name[4-(hydroxymethyl)-2-phenyl-1H-imidazol-5-yl]methanol;2-undecyl-1H-imidazole
SMILESCCCCCCCCCCCc1ncc[nH]1.OCc1nc(-c2ccccc2)[nH]c1CO
InChIInChI=1S/C14H26N2.C11H12N2O2/c1-2-3-4-5-6-7-8-9-10-11-14-15-12-13-16-14;14-6-9-10(7-15)13-11(12-9)8-4-2-1-3-5-8/h12-13H,2-11H2,1H3,(H,15,16);1-5,14-15H,6-7H2,(H,12,13)
InChIKeyZBMLNJOSLPJXIP-UHFFFAOYSA-N
XLogP5.54
TPSA97.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.61
LogP ≤ 55.54
H-Bond Donors ≤ 54
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 [4-(hydroxymethyl)-2-phenyl-1H-imidazol-5-yl]methanol;2-undecyl-1H-imidazole?
The IUPAC name of [4-(hydroxymethyl)-2-phenyl-1H-imidazol-5-yl]methanol;2-undecyl-1H-imidazole (CID 162074216) is [4-(hydroxymethyl)-2-phenyl-1H-imidazol-5-yl]methanol;2-undecyl-1H-imidazole.
What is the SMILES notation for [4-(hydroxymethyl)-2-phenyl-1H-imidazol-5-yl]methanol;2-undecyl-1H-imidazole?
The canonical SMILES for [4-(hydroxymethyl)-2-phenyl-1H-imidazol-5-yl]methanol;2-undecyl-1H-imidazole is CCCCCCCCCCCc1ncc[nH]1.OCc1nc(-c2ccccc2)[nH]c1CO.
What is the InChIKey of [4-(hydroxymethyl)-2-phenyl-1H-imidazol-5-yl]methanol;2-undecyl-1H-imidazole?
The InChIKey is ZBMLNJOSLPJXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2.C11H12N2O2/c1-2-3-4-5-6-7-8-9-10-11-14-15-12-13-16-14;14-6-9-10(7-15)13-11(12-9)8-4-2-1-3-5-8/h12-13H,2-11H2,1H3,(H,15,16);1-5,14-15H,6-7H2,(H,12,13).
What are the key properties of [4-(hydroxymethyl)-2-phenyl-1H-imidazol-5-yl]methanol;2-undecyl-1H-imidazole?
[4-(hydroxymethyl)-2-phenyl-1H-imidazol-5-yl]methanol;2-undecyl-1H-imidazole has a molecular weight of 426.61 g/mol, XLogP of 5.54, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-2-phenyl-1H-imidazol-5-yl]methanol;2-undecyl-1H-imidazole is sourced from PubChem (CID 162074216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).