1-ethyl-2-naphthalen-1-ylimidazole-4-carbaldehyde

C16H14N2O — CID 53422453

IUPAC1-ethyl-2-naphthalen-1-ylimidazole-4-carbaldehyde
SMILESCCn1cc(C=O)nc1-c1cccc2ccccc12
InChIInChI=1S/C16H14N2O/c1-2-18-10-13(11-19)17-16(18)15-9-5-7-12-6-3-4-8-14(12)15/h3-11H,2H2,1H3
InChIKeyVCAODJWBUQPYEE-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.54
Rot. Bonds3

About 1-ethyl-2-naphthalen-1-ylimidazole-4-carbaldehyde

1-ethyl-2-naphthalen-1-ylimidazole-4-carbaldehyde (PubChem CID 53422453) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-ethyl-2-naphthalen-1-ylimidazole-4-carbaldehyde.

Molecular Properties

Compound Name1-ethyl-2-naphthalen-1-ylimidazole-4-carbaldehyde
PubChem CID53422453
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name1-ethyl-2-naphthalen-1-ylimidazole-4-carbaldehyde
SMILESCCn1cc(C=O)nc1-c1cccc2ccccc12
InChIInChI=1S/C16H14N2O/c1-2-18-10-13(11-19)17-16(18)15-9-5-7-12-6-3-4-8-14(12)15/h3-11H,2H2,1H3
InChIKeyVCAODJWBUQPYEE-UHFFFAOYSA-N
XLogP3.54
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-naphthalen-1-ylimidazole-4-carbaldehyde?
The IUPAC name of 1-ethyl-2-naphthalen-1-ylimidazole-4-carbaldehyde (CID 53422453) is 1-ethyl-2-naphthalen-1-ylimidazole-4-carbaldehyde.
What is the SMILES notation for 1-ethyl-2-naphthalen-1-ylimidazole-4-carbaldehyde?
The canonical SMILES for 1-ethyl-2-naphthalen-1-ylimidazole-4-carbaldehyde is CCn1cc(C=O)nc1-c1cccc2ccccc12.
What is the InChIKey of 1-ethyl-2-naphthalen-1-ylimidazole-4-carbaldehyde?
The InChIKey is VCAODJWBUQPYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-2-18-10-13(11-19)17-16(18)15-9-5-7-12-6-3-4-8-14(12)15/h3-11H,2H2,1H3.
What are the key properties of 1-ethyl-2-naphthalen-1-ylimidazole-4-carbaldehyde?
1-ethyl-2-naphthalen-1-ylimidazole-4-carbaldehyde has a molecular weight of 250.30 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-naphthalen-1-ylimidazole-4-carbaldehyde is sourced from PubChem (CID 53422453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).