5-[4-(hydroxymethyl)imidazol-1-yl]pentan-1-ol

C9H16N2O2 — CID 106717483

IUPAC5-[4-(hydroxymethyl)imidazol-1-yl]pentan-1-ol
SMILESOCCCCCn1cnc(CO)c1
InChIInChI=1S/C9H16N2O2/c12-5-3-1-2-4-11-6-9(7-13)10-8-11/h6,8,12-13H,1-5,7H2
InChIKeyWLYGCABKIHPELK-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.54
Rot. Bonds6

About 5-[4-(hydroxymethyl)imidazol-1-yl]pentan-1-ol

5-[4-(hydroxymethyl)imidazol-1-yl]pentan-1-ol (PubChem CID 106717483) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 5-[4-(hydroxymethyl)imidazol-1-yl]pentan-1-ol.

Molecular Properties

Compound Name5-[4-(hydroxymethyl)imidazol-1-yl]pentan-1-ol
PubChem CID106717483
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name5-[4-(hydroxymethyl)imidazol-1-yl]pentan-1-ol
SMILESOCCCCCn1cnc(CO)c1
InChIInChI=1S/C9H16N2O2/c12-5-3-1-2-4-11-6-9(7-13)10-8-11/h6,8,12-13H,1-5,7H2
InChIKeyWLYGCABKIHPELK-UHFFFAOYSA-N
XLogP0.54
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.54
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-pentylimidazol-4-yl)methanol
CID 11147952
3-[4-(aminomethyl)imidazol-1-yl]propan-1-ol
CID 106717943
[1-(4-methylpentyl)imidazol-4-yl]methanol
CID 106717619
4-[4-[2-(methylamino)ethyl]imidazol-1-yl]butan-1-ol
CID 79985168
6-[4-[2-(propylamino)ethyl]imidazol-1-yl]hexan-1-ol
CID 107706775
6-[4-(hydroxymethyl)imidazol-1-yl]-2,2-dimethylhexanenitrile
CID 106717339
[1-(3,3-dimethylbutyl)imidazol-4-yl]methanol
CID 106717322
[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazol-4-yl]methanol
CID 106717261
[1-[2-(3-methoxypropoxy)ethyl]imidazol-4-yl]methanol
CID 106717267
2-(4-hexadecylimidazol-1-yl)ethanol
CID 175193401
3-[4-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-1-ol
CID 106720107
N-cyclopropyl-3-[4-(hydroxymethyl)imidazol-1-yl]propanamide
CID 106717486

Frequently Asked Questions

What is the IUPAC name of 5-[4-(hydroxymethyl)imidazol-1-yl]pentan-1-ol?
The IUPAC name of 5-[4-(hydroxymethyl)imidazol-1-yl]pentan-1-ol (CID 106717483) is 5-[4-(hydroxymethyl)imidazol-1-yl]pentan-1-ol.
What is the SMILES notation for 5-[4-(hydroxymethyl)imidazol-1-yl]pentan-1-ol?
The canonical SMILES for 5-[4-(hydroxymethyl)imidazol-1-yl]pentan-1-ol is OCCCCCn1cnc(CO)c1.
What is the InChIKey of 5-[4-(hydroxymethyl)imidazol-1-yl]pentan-1-ol?
The InChIKey is WLYGCABKIHPELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c12-5-3-1-2-4-11-6-9(7-13)10-8-11/h6,8,12-13H,1-5,7H2.
What are the key properties of 5-[4-(hydroxymethyl)imidazol-1-yl]pentan-1-ol?
5-[4-(hydroxymethyl)imidazol-1-yl]pentan-1-ol has a molecular weight of 184.24 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(hydroxymethyl)imidazol-1-yl]pentan-1-ol is sourced from PubChem (CID 106717483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).