2-[(3-cyclopropylimidazol-4-yl)methoxy]-3-methylbenzaldehyde

C15H16N2O2 — CID 112611159

IUPAC2-[(3-cyclopropylimidazol-4-yl)methoxy]-3-methylbenzaldehyde
SMILESCc1cccc(C=O)c1OCc1cncn1C1CC1
InChIInChI=1S/C15H16N2O2/c1-11-3-2-4-12(8-18)15(11)19-9-14-7-16-10-17(14)13-5-6-13/h2-4,7-8,10,13H,5-6,9H2,1H3
InChIKeyVRKPUEODBIAARE-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.92
Rot. Bonds5

About 2-[(3-cyclopropylimidazol-4-yl)methoxy]-3-methylbenzaldehyde

2-[(3-cyclopropylimidazol-4-yl)methoxy]-3-methylbenzaldehyde (PubChem CID 112611159) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[(3-cyclopropylimidazol-4-yl)methoxy]-3-methylbenzaldehyde.

Molecular Properties

Compound Name2-[(3-cyclopropylimidazol-4-yl)methoxy]-3-methylbenzaldehyde
PubChem CID112611159
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name2-[(3-cyclopropylimidazol-4-yl)methoxy]-3-methylbenzaldehyde
SMILESCc1cccc(C=O)c1OCc1cncn1C1CC1
InChIInChI=1S/C15H16N2O2/c1-11-3-2-4-12(8-18)15(11)19-9-14-7-16-10-17(14)13-5-6-13/h2-4,7-8,10,13H,5-6,9H2,1H3
InChIKeyVRKPUEODBIAARE-UHFFFAOYSA-N
XLogP2.92
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.92
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-[(3-cyclopropylimidazol-4-yl)methoxy]-3-methylbenzaldehyde?
The IUPAC name of 2-[(3-cyclopropylimidazol-4-yl)methoxy]-3-methylbenzaldehyde (CID 112611159) is 2-[(3-cyclopropylimidazol-4-yl)methoxy]-3-methylbenzaldehyde.
What is the SMILES notation for 2-[(3-cyclopropylimidazol-4-yl)methoxy]-3-methylbenzaldehyde?
The canonical SMILES for 2-[(3-cyclopropylimidazol-4-yl)methoxy]-3-methylbenzaldehyde is Cc1cccc(C=O)c1OCc1cncn1C1CC1.
What is the InChIKey of 2-[(3-cyclopropylimidazol-4-yl)methoxy]-3-methylbenzaldehyde?
The InChIKey is VRKPUEODBIAARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11-3-2-4-12(8-18)15(11)19-9-14-7-16-10-17(14)13-5-6-13/h2-4,7-8,10,13H,5-6,9H2,1H3.
What are the key properties of 2-[(3-cyclopropylimidazol-4-yl)methoxy]-3-methylbenzaldehyde?
2-[(3-cyclopropylimidazol-4-yl)methoxy]-3-methylbenzaldehyde has a molecular weight of 256.30 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropylimidazol-4-yl)methoxy]-3-methylbenzaldehyde is sourced from PubChem (CID 112611159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).