4,5-bis(4-hydroxyphenyl)-1H-imidazole-2-carbaldehyde

C16H12N2O3 — CID 139680878

IUPAC4,5-bis(4-hydroxyphenyl)-1H-imidazole-2-carbaldehyde
SMILESO=Cc1nc(-c2ccc(O)cc2)c(-c2ccc(O)cc2)[nH]1
InChIInChI=1S/C16H12N2O3/c19-9-14-17-15(10-1-5-12(20)6-2-10)16(18-14)11-3-7-13(21)8-4-11/h1-9,20-21H,(H,17,18)
InChIKeyHTDADQBDCKKNJD-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.97
Rot. Bonds3

About 4,5-bis(4-hydroxyphenyl)-1H-imidazole-2-carbaldehyde

4,5-bis(4-hydroxyphenyl)-1H-imidazole-2-carbaldehyde (PubChem CID 139680878) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 4,5-bis(4-hydroxyphenyl)-1H-imidazole-2-carbaldehyde.

Molecular Properties

Compound Name4,5-bis(4-hydroxyphenyl)-1H-imidazole-2-carbaldehyde
PubChem CID139680878
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name4,5-bis(4-hydroxyphenyl)-1H-imidazole-2-carbaldehyde
SMILESO=Cc1nc(-c2ccc(O)cc2)c(-c2ccc(O)cc2)[nH]1
InChIInChI=1S/C16H12N2O3/c19-9-14-17-15(10-1-5-12(20)6-2-10)16(18-14)11-3-7-13(21)8-4-11/h1-9,20-21H,(H,17,18)
InChIKeyHTDADQBDCKKNJD-UHFFFAOYSA-N
XLogP2.97
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-hydroxyphenyl)-1H-imidazole-2-carbaldehyde?
The IUPAC name of 4,5-bis(4-hydroxyphenyl)-1H-imidazole-2-carbaldehyde (CID 139680878) is 4,5-bis(4-hydroxyphenyl)-1H-imidazole-2-carbaldehyde.
What is the SMILES notation for 4,5-bis(4-hydroxyphenyl)-1H-imidazole-2-carbaldehyde?
The canonical SMILES for 4,5-bis(4-hydroxyphenyl)-1H-imidazole-2-carbaldehyde is O=Cc1nc(-c2ccc(O)cc2)c(-c2ccc(O)cc2)[nH]1.
What is the InChIKey of 4,5-bis(4-hydroxyphenyl)-1H-imidazole-2-carbaldehyde?
The InChIKey is HTDADQBDCKKNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c19-9-14-17-15(10-1-5-12(20)6-2-10)16(18-14)11-3-7-13(21)8-4-11/h1-9,20-21H,(H,17,18).
What are the key properties of 4,5-bis(4-hydroxyphenyl)-1H-imidazole-2-carbaldehyde?
4,5-bis(4-hydroxyphenyl)-1H-imidazole-2-carbaldehyde has a molecular weight of 280.28 g/mol, XLogP of 2.97, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-hydroxyphenyl)-1H-imidazole-2-carbaldehyde is sourced from PubChem (CID 139680878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).