1-(3-hydroxy-2H-imidazol-1-yl)nonan-1-ol

C12H24N2O2 — CID 174888445

IUPAC1-(3-hydroxy-2H-imidazol-1-yl)nonan-1-ol
SMILESCCCCCCCCC(O)N1C=CN(O)C1
InChIInChI=1S/C12H24N2O2/c1-2-3-4-5-6-7-8-12(15)13-9-10-14(16)11-13/h9-10,12,15-16H,2-8,11H2,1H3
InChIKeyNBYCDSJKBQYZDG-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.49
Rot. Bonds8

About 1-(3-hydroxy-2H-imidazol-1-yl)nonan-1-ol

1-(3-hydroxy-2H-imidazol-1-yl)nonan-1-ol (PubChem CID 174888445) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-(3-hydroxy-2H-imidazol-1-yl)nonan-1-ol.

Molecular Properties

Compound Name1-(3-hydroxy-2H-imidazol-1-yl)nonan-1-ol
PubChem CID174888445
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-(3-hydroxy-2H-imidazol-1-yl)nonan-1-ol
SMILESCCCCCCCCC(O)N1C=CN(O)C1
InChIInChI=1S/C12H24N2O2/c1-2-3-4-5-6-7-8-12(15)13-9-10-14(16)11-13/h9-10,12,15-16H,2-8,11H2,1H3
InChIKeyNBYCDSJKBQYZDG-UHFFFAOYSA-N
XLogP2.49
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.49
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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Related Compounds

1-(4,5-dihydroimidazol-1-yl)nonadecan-1-ol
CID 57204526
1-methyl-3-octadecan-8-yl-2H-imidazole
CID 174675256
heptane-1,1-diol;hexane-1,1-diol
CID 161393558
tetradecane-1,1-diol;tridecane-1,1-diol
CID 87487679
decane;dodecane-1,1-diol
CID 162011285
nonacosane-1,1-diol
CID 23066924
1-(3-methylimidazolidin-1-yl)tridecan-1-ol
CID 150165158
CID 172691644
CID 172691644
dodecane-1,1-diol;dihydrochloride
CID 87128887
1-nonadecyl-3-propan-2-yl-2H-imidazole
CID 69389756
1,3,5-tris(1-hydroxydecyl)-1,3,5-triazinane-2,4,6-trione
CID 139814368
tetratetracontan-22-ol
CID 91434437

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2H-imidazol-1-yl)nonan-1-ol?
The IUPAC name of 1-(3-hydroxy-2H-imidazol-1-yl)nonan-1-ol (CID 174888445) is 1-(3-hydroxy-2H-imidazol-1-yl)nonan-1-ol.
What is the SMILES notation for 1-(3-hydroxy-2H-imidazol-1-yl)nonan-1-ol?
The canonical SMILES for 1-(3-hydroxy-2H-imidazol-1-yl)nonan-1-ol is CCCCCCCCC(O)N1C=CN(O)C1.
What is the InChIKey of 1-(3-hydroxy-2H-imidazol-1-yl)nonan-1-ol?
The InChIKey is NBYCDSJKBQYZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-2-3-4-5-6-7-8-12(15)13-9-10-14(16)11-13/h9-10,12,15-16H,2-8,11H2,1H3.
What are the key properties of 1-(3-hydroxy-2H-imidazol-1-yl)nonan-1-ol?
1-(3-hydroxy-2H-imidazol-1-yl)nonan-1-ol has a molecular weight of 228.34 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2H-imidazol-1-yl)nonan-1-ol is sourced from PubChem (CID 174888445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).