1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazole-4-carbaldehyde

C14H24N2O4 — CID 106716545

IUPAC1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazole-4-carbaldehyde
SMILESCCCCOCCOCCOCCn1cnc(C=O)c1
InChIInChI=1S/C14H24N2O4/c1-2-3-5-18-7-9-20-10-8-19-6-4-16-11-14(12-17)15-13-16/h11-13H,2-10H2,1H3
InChIKeyNCUNRBBVSWVMQA-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.55
Rot. Bonds13

About 1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazole-4-carbaldehyde

1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazole-4-carbaldehyde (PubChem CID 106716545) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazole-4-carbaldehyde.

Molecular Properties

Compound Name1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazole-4-carbaldehyde
PubChem CID106716545
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazole-4-carbaldehyde
SMILESCCCCOCCOCCOCCn1cnc(C=O)c1
InChIInChI=1S/C14H24N2O4/c1-2-3-5-18-7-9-20-10-8-19-6-4-16-11-14(12-17)15-13-16/h11-13H,2-10H2,1H3
InChIKeyNCUNRBBVSWVMQA-UHFFFAOYSA-N
XLogP1.55
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole-4-carbaldehyde
CID 106716641
[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazol-4-yl]methanol
CID 106717261
1-(2-methylpentyl)imidazole-4-carbaldehyde
CID 106716828
1-(2-phenylethyl)imidazole-4-carbaldehyde
CID 22289872
4-ethenyl-1-propylimidazole
CID 118166660
1-[2-(2-methoxyethoxy)ethyl]-4-methylimidazole
CID 163393371
2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-4-methyl-1,2,4-triazol-3-one
CID 116626782
5-bromo-3-(2-butoxyethyl)-6-methylpyrimidin-4-one
CID 66310463
[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrrol-3-yl]methanamine
CID 104565446
N-ethyl-2-(4-formylimidazol-1-yl)acetamide
CID 106716614
ethane;1-[2-(2-methoxyethoxy)ethyl]-4-methylimidazole
CID 163393370
N-[[1-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719077

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazole-4-carbaldehyde?
The IUPAC name of 1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazole-4-carbaldehyde (CID 106716545) is 1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazole-4-carbaldehyde.
What is the SMILES notation for 1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazole-4-carbaldehyde?
The canonical SMILES for 1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazole-4-carbaldehyde is CCCCOCCOCCOCCn1cnc(C=O)c1.
What is the InChIKey of 1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazole-4-carbaldehyde?
The InChIKey is NCUNRBBVSWVMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-2-3-5-18-7-9-20-10-8-19-6-4-16-11-14(12-17)15-13-16/h11-13H,2-10H2,1H3.
What are the key properties of 1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazole-4-carbaldehyde?
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazole-4-carbaldehyde has a molecular weight of 284.36 g/mol, XLogP of 1.55, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazole-4-carbaldehyde is sourced from PubChem (CID 106716545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).