2-hydroxy-4-(4-methylimidazol-1-yl)benzaldehyde

C11H10N2O2 — CID 141153861

IUPAC2-hydroxy-4-(4-methylimidazol-1-yl)benzaldehyde
SMILESCc1cn(-c2ccc(C=O)c(O)c2)cn1
InChIInChI=1S/C11H10N2O2/c1-8-5-13(7-12-8)10-3-2-9(6-14)11(15)4-10/h2-7,15H,1H3
InChIKeyLVYBHGAURUWSLV-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.70
Rot. Bonds2

About 2-hydroxy-4-(4-methylimidazol-1-yl)benzaldehyde

2-hydroxy-4-(4-methylimidazol-1-yl)benzaldehyde (PubChem CID 141153861) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-hydroxy-4-(4-methylimidazol-1-yl)benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-4-(4-methylimidazol-1-yl)benzaldehyde
PubChem CID141153861
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name2-hydroxy-4-(4-methylimidazol-1-yl)benzaldehyde
SMILESCc1cn(-c2ccc(C=O)c(O)c2)cn1
InChIInChI=1S/C11H10N2O2/c1-8-5-13(7-12-8)10-3-2-9(6-14)11(15)4-10/h2-7,15H,1H3
InChIKeyLVYBHGAURUWSLV-UHFFFAOYSA-N
XLogP1.70
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.70
H-Bond Donors ≤ 51
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 2-hydroxy-4-(4-methylimidazol-1-yl)benzaldehyde?
The IUPAC name of 2-hydroxy-4-(4-methylimidazol-1-yl)benzaldehyde (CID 141153861) is 2-hydroxy-4-(4-methylimidazol-1-yl)benzaldehyde.
What is the SMILES notation for 2-hydroxy-4-(4-methylimidazol-1-yl)benzaldehyde?
The canonical SMILES for 2-hydroxy-4-(4-methylimidazol-1-yl)benzaldehyde is Cc1cn(-c2ccc(C=O)c(O)c2)cn1.
What is the InChIKey of 2-hydroxy-4-(4-methylimidazol-1-yl)benzaldehyde?
The InChIKey is LVYBHGAURUWSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-8-5-13(7-12-8)10-3-2-9(6-14)11(15)4-10/h2-7,15H,1H3.
What are the key properties of 2-hydroxy-4-(4-methylimidazol-1-yl)benzaldehyde?
2-hydroxy-4-(4-methylimidazol-1-yl)benzaldehyde has a molecular weight of 202.21 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(4-methylimidazol-1-yl)benzaldehyde is sourced from PubChem (CID 141153861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).