1-(5-hydroxypentyl)imidazole-2-carbaldehyde

C9H14N2O2 — CID 62229411

IUPAC1-(5-hydroxypentyl)imidazole-2-carbaldehyde
SMILESO=Cc1nccn1CCCCCO
InChIInChI=1S/C9H14N2O2/c12-7-3-1-2-5-11-6-4-10-9(11)8-13/h4,6,8,12H,1-3,5,7H2
InChIKeyHVMBPYFDKLDRQQ-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.86
Rot. Bonds6

About 1-(5-hydroxypentyl)imidazole-2-carbaldehyde

1-(5-hydroxypentyl)imidazole-2-carbaldehyde (PubChem CID 62229411) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-(5-hydroxypentyl)imidazole-2-carbaldehyde.

Molecular Properties

Compound Name1-(5-hydroxypentyl)imidazole-2-carbaldehyde
PubChem CID62229411
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-(5-hydroxypentyl)imidazole-2-carbaldehyde
SMILESO=Cc1nccn1CCCCCO
InChIInChI=1S/C9H14N2O2/c12-7-3-1-2-5-11-6-4-10-9(11)8-13/h4,6,8,12H,1-3,5,7H2
InChIKeyHVMBPYFDKLDRQQ-UHFFFAOYSA-N
XLogP0.86
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(2-formylimidazol-1-yl)butanoate
CID 62223157
1-(2-chloroethyl)imidazole-2-carbaldehyde
CID 55267738
1-[2-(2-methylimidazol-1-yl)ethyl]imidazole-2-carbaldehyde
CID 62223868
2-[(1-tetradecylimidazol-2-yl)methylideneamino]ethanol
CID 71348795
2-(2-formylimidazol-1-yl)-N-methylacetamide
CID 62222272
1-(2-hydroxypropyl)imidazole-2-carbaldehyde
CID 55267444
1-(3-hydroxypropyl)imidazole-2-carboxamide
CID 173085384
1-(2-pyridin-2-ylethyl)imidazole-2-carbaldehyde
CID 62221205
1-[2-(methoxymethoxy)ethyl]imidazole-2-carbaldehyde
CID 23079305
1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole-2-carbaldehyde
CID 103005379
2-[2-[(2-formylimidazol-1-yl)methyl]phenyl]acetic acid
CID 115463139
1-(4-hydroxybutyl)pyrazin-2-one
CID 10487300

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxypentyl)imidazole-2-carbaldehyde?
The IUPAC name of 1-(5-hydroxypentyl)imidazole-2-carbaldehyde (CID 62229411) is 1-(5-hydroxypentyl)imidazole-2-carbaldehyde.
What is the SMILES notation for 1-(5-hydroxypentyl)imidazole-2-carbaldehyde?
The canonical SMILES for 1-(5-hydroxypentyl)imidazole-2-carbaldehyde is O=Cc1nccn1CCCCCO.
What is the InChIKey of 1-(5-hydroxypentyl)imidazole-2-carbaldehyde?
The InChIKey is HVMBPYFDKLDRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c12-7-3-1-2-5-11-6-4-10-9(11)8-13/h4,6,8,12H,1-3,5,7H2.
What are the key properties of 1-(5-hydroxypentyl)imidazole-2-carbaldehyde?
1-(5-hydroxypentyl)imidazole-2-carbaldehyde has a molecular weight of 182.22 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxypentyl)imidazole-2-carbaldehyde is sourced from PubChem (CID 62229411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).