5-(1H-imidazol-3-ium-3-yl)pentan-1-ol

C8H15N2O+ — CID 138683192

IUPAC5-(1H-imidazol-3-ium-3-yl)pentan-1-ol
SMILESOCCCCC[n+]1cc[nH]c1
InChIInChI=1S/C8H14N2O/c11-7-3-1-2-5-10-6-4-9-8-10/h4,6,8,11H,1-3,5,7H2/p+1
InChIKeyICTYCNGFOUKSQR-UHFFFAOYSA-O
MW155.22 g/mol
LogP0.46
Rot. Bonds5

About 5-(1H-imidazol-3-ium-3-yl)pentan-1-ol

5-(1H-imidazol-3-ium-3-yl)pentan-1-ol (PubChem CID 138683192) has the molecular formula C8H15N2O+ and a molecular weight of 155.22 g/mol. Its IUPAC name is 5-(1H-imidazol-3-ium-3-yl)pentan-1-ol.

Molecular Properties

Compound Name5-(1H-imidazol-3-ium-3-yl)pentan-1-ol
PubChem CID138683192
Molecular FormulaC8H15N2O+
Molecular Weight155.22 g/mol
Exact Mass155.12
IUPAC Name5-(1H-imidazol-3-ium-3-yl)pentan-1-ol
SMILESOCCCCC[n+]1cc[nH]c1
InChIInChI=1S/C8H14N2O/c11-7-3-1-2-5-10-6-4-9-8-10/h4,6,8,11H,1-3,5,7H2/p+1
InChIKeyICTYCNGFOUKSQR-UHFFFAOYSA-O
XLogP0.46
TPSA39.90 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-[12-(1H-imidazol-3-ium-3-yl)dodecyl]-1H-imidazol-3-ium
CID 11454501
hydrogen sulfate;3-(1H-imidazol-3-ium-3-yl)propan-1-ol
CID 176903750
3-undecyl-1H-imidazol-3-ium
CID 69396571
3-hexadecyl-1H-imidazol-3-ium bromide
CID 66717877
3-(4-bromobutyl)-1H-imidazol-3-ium
CID 19909459
3-decyl-1H-imidazol-3-ium tetrafluoroborate
CID 154630009
3-[4-[4-(1H-imidazol-3-ium-3-yl)butyl]triazol-1-yl]propan-1-ol
CID 132597543
3-hexyl-1H-imidazol-3-ium;2,2,2-trifluoroacetate
CID 154703522
3-dodecyl-1H-imidazol-3-ium;(2S)-2-hydroxypropanoate
CID 134716361
3-(1H-imidazol-3-ium-3-yl)propan-1-amine triiodide
CID 175672770
acetic acid;3-butyl-1H-imidazol-3-ium;phosphanylphosphane
CID 161077418
3-(1H-imidazol-3-ium-3-yl)propanoic acid
CID 1396187

Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-3-ium-3-yl)pentan-1-ol?
The IUPAC name of 5-(1H-imidazol-3-ium-3-yl)pentan-1-ol (CID 138683192) is 5-(1H-imidazol-3-ium-3-yl)pentan-1-ol.
What is the SMILES notation for 5-(1H-imidazol-3-ium-3-yl)pentan-1-ol?
The canonical SMILES for 5-(1H-imidazol-3-ium-3-yl)pentan-1-ol is OCCCCC[n+]1cc[nH]c1.
What is the InChIKey of 5-(1H-imidazol-3-ium-3-yl)pentan-1-ol?
The InChIKey is ICTYCNGFOUKSQR-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H14N2O/c11-7-3-1-2-5-10-6-4-9-8-10/h4,6,8,11H,1-3,5,7H2/p+1.
What are the key properties of 5-(1H-imidazol-3-ium-3-yl)pentan-1-ol?
5-(1H-imidazol-3-ium-3-yl)pentan-1-ol has a molecular weight of 155.22 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazol-3-ium-3-yl)pentan-1-ol is sourced from PubChem (CID 138683192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).