4-[(1-methylimidazol-2-yl)methoxy]benzaldehyde

C12H12N2O2 — CID 820979

IUPAC4-[(1-methylimidazol-2-yl)methoxy]benzaldehyde
SMILESCn1ccnc1COc1ccc(C=O)cc1
InChIInChI=1S/C12H12N2O2/c1-14-7-6-13-12(14)9-16-11-4-2-10(8-15)3-5-11/h2-8H,9H2,1H3
InChIKeyDMUKYFSMBNHCHM-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.81
Rot. Bonds4

About 4-[(1-methylimidazol-2-yl)methoxy]benzaldehyde

4-[(1-methylimidazol-2-yl)methoxy]benzaldehyde (PubChem CID 820979) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-[(1-methylimidazol-2-yl)methoxy]benzaldehyde.

Molecular Properties

Compound Name4-[(1-methylimidazol-2-yl)methoxy]benzaldehyde
PubChem CID820979
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name4-[(1-methylimidazol-2-yl)methoxy]benzaldehyde
SMILESCn1ccnc1COc1ccc(C=O)cc1
InChIInChI=1S/C12H12N2O2/c1-14-7-6-13-12(14)9-16-11-4-2-10(8-15)3-5-11/h2-8H,9H2,1H3
InChIKeyDMUKYFSMBNHCHM-UHFFFAOYSA-N
XLogP1.81
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.81
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 4-[(1-methylimidazol-2-yl)methoxy]benzaldehyde?
The IUPAC name of 4-[(1-methylimidazol-2-yl)methoxy]benzaldehyde (CID 820979) is 4-[(1-methylimidazol-2-yl)methoxy]benzaldehyde.
What is the SMILES notation for 4-[(1-methylimidazol-2-yl)methoxy]benzaldehyde?
The canonical SMILES for 4-[(1-methylimidazol-2-yl)methoxy]benzaldehyde is Cn1ccnc1COc1ccc(C=O)cc1.
What is the InChIKey of 4-[(1-methylimidazol-2-yl)methoxy]benzaldehyde?
The InChIKey is DMUKYFSMBNHCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-14-7-6-13-12(14)9-16-11-4-2-10(8-15)3-5-11/h2-8H,9H2,1H3.
What are the key properties of 4-[(1-methylimidazol-2-yl)methoxy]benzaldehyde?
4-[(1-methylimidazol-2-yl)methoxy]benzaldehyde has a molecular weight of 216.24 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylimidazol-2-yl)methoxy]benzaldehyde is sourced from PubChem (CID 820979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).