2-imidazol-1-yl-4-methoxybenzaldehyde

C11H10N2O2 — CID 86602468

IUPAC2-imidazol-1-yl-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)c(-n2ccnc2)c1
InChIInChI=1S/C11H10N2O2/c1-15-10-3-2-9(7-14)11(6-10)13-5-4-12-8-13/h2-8H,1H3
InChIKeyPICVDOOIABRWEQ-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.69
Rot. Bonds3

About 2-imidazol-1-yl-4-methoxybenzaldehyde

2-imidazol-1-yl-4-methoxybenzaldehyde (PubChem CID 86602468) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-imidazol-1-yl-4-methoxybenzaldehyde.

Molecular Properties

Compound Name2-imidazol-1-yl-4-methoxybenzaldehyde
PubChem CID86602468
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name2-imidazol-1-yl-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)c(-n2ccnc2)c1
InChIInChI=1S/C11H10N2O2/c1-15-10-3-2-9(7-14)11(6-10)13-5-4-12-8-13/h2-8H,1H3
InChIKeyPICVDOOIABRWEQ-UHFFFAOYSA-N
XLogP1.69
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.69
H-Bond Donors ≤ 50
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-imidazol-1-yl-4-methoxybenzaldehyde?
The IUPAC name of 2-imidazol-1-yl-4-methoxybenzaldehyde (CID 86602468) is 2-imidazol-1-yl-4-methoxybenzaldehyde.
What is the SMILES notation for 2-imidazol-1-yl-4-methoxybenzaldehyde?
The canonical SMILES for 2-imidazol-1-yl-4-methoxybenzaldehyde is COc1ccc(C=O)c(-n2ccnc2)c1.
What is the InChIKey of 2-imidazol-1-yl-4-methoxybenzaldehyde?
The InChIKey is PICVDOOIABRWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-15-10-3-2-9(7-14)11(6-10)13-5-4-12-8-13/h2-8H,1H3.
What are the key properties of 2-imidazol-1-yl-4-methoxybenzaldehyde?
2-imidazol-1-yl-4-methoxybenzaldehyde has a molecular weight of 202.21 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-4-methoxybenzaldehyde is sourced from PubChem (CID 86602468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).