4-(1H-imidazol-2-yl)-9H-fluorene-9-carbaldehyde

C17H12N2O — CID 174591530

IUPAC4-(1H-imidazol-2-yl)-9H-fluorene-9-carbaldehyde
SMILESO=CC1c2ccccc2-c2c(-c3ncc[nH]3)cccc21
InChIInChI=1S/C17H12N2O/c20-10-15-11-4-1-2-5-12(11)16-13(15)6-3-7-14(16)17-18-8-9-19-17/h1-10,15H,(H,18,19)
InChIKeyIBWGENZMOYRKGM-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.39
Rot. Bonds2

About 4-(1H-imidazol-2-yl)-9H-fluorene-9-carbaldehyde

4-(1H-imidazol-2-yl)-9H-fluorene-9-carbaldehyde (PubChem CID 174591530) has the molecular formula C17H12N2O and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-(1H-imidazol-2-yl)-9H-fluorene-9-carbaldehyde.

Molecular Properties

Compound Name4-(1H-imidazol-2-yl)-9H-fluorene-9-carbaldehyde
PubChem CID174591530
Molecular FormulaC17H12N2O
Molecular Weight260.30 g/mol
Exact Mass260.09
IUPAC Name4-(1H-imidazol-2-yl)-9H-fluorene-9-carbaldehyde
SMILESO=CC1c2ccccc2-c2c(-c3ncc[nH]3)cccc21
InChIInChI=1S/C17H12N2O/c20-10-15-11-4-1-2-5-12(11)16-13(15)6-3-7-14(16)17-18-8-9-19-17/h1-10,15H,(H,18,19)
InChIKeyIBWGENZMOYRKGM-UHFFFAOYSA-N
XLogP3.39
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-yl)-9H-fluorene-9-carbaldehyde?
The IUPAC name of 4-(1H-imidazol-2-yl)-9H-fluorene-9-carbaldehyde (CID 174591530) is 4-(1H-imidazol-2-yl)-9H-fluorene-9-carbaldehyde.
What is the SMILES notation for 4-(1H-imidazol-2-yl)-9H-fluorene-9-carbaldehyde?
The canonical SMILES for 4-(1H-imidazol-2-yl)-9H-fluorene-9-carbaldehyde is O=CC1c2ccccc2-c2c(-c3ncc[nH]3)cccc21.
What is the InChIKey of 4-(1H-imidazol-2-yl)-9H-fluorene-9-carbaldehyde?
The InChIKey is IBWGENZMOYRKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O/c20-10-15-11-4-1-2-5-12(11)16-13(15)6-3-7-14(16)17-18-8-9-19-17/h1-10,15H,(H,18,19).
What are the key properties of 4-(1H-imidazol-2-yl)-9H-fluorene-9-carbaldehyde?
4-(1H-imidazol-2-yl)-9H-fluorene-9-carbaldehyde has a molecular weight of 260.30 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-yl)-9H-fluorene-9-carbaldehyde is sourced from PubChem (CID 174591530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).