2-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)benzaldehyde

C14H11N3O2 — CID 708797

IUPAC2-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)benzaldehyde
SMILESO=Cc1ccccc1OCc1cn2cccnc2n1
InChIInChI=1S/C14H11N3O2/c18-9-11-4-1-2-5-13(11)19-10-12-8-17-7-3-6-15-14(17)16-12/h1-9H,10H2
InChIKeyPHEUZJAEMMFRQF-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.12
Rot. Bonds4

About 2-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)benzaldehyde

2-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)benzaldehyde (PubChem CID 708797) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)benzaldehyde.

Molecular Properties

Compound Name2-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)benzaldehyde
PubChem CID708797
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name2-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)benzaldehyde
SMILESO=Cc1ccccc1OCc1cn2cccnc2n1
InChIInChI=1S/C14H11N3O2/c18-9-11-4-1-2-5-13(11)19-10-12-8-17-7-3-6-15-14(17)16-12/h1-9H,10H2
InChIKeyPHEUZJAEMMFRQF-UHFFFAOYSA-N
XLogP2.12
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)benzaldehyde?
The IUPAC name of 2-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)benzaldehyde (CID 708797) is 2-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)benzaldehyde.
What is the SMILES notation for 2-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)benzaldehyde?
The canonical SMILES for 2-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)benzaldehyde is O=Cc1ccccc1OCc1cn2cccnc2n1.
What is the InChIKey of 2-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)benzaldehyde?
The InChIKey is PHEUZJAEMMFRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c18-9-11-4-1-2-5-13(11)19-10-12-8-17-7-3-6-15-14(17)16-12/h1-9H,10H2.
What are the key properties of 2-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)benzaldehyde?
2-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)benzaldehyde has a molecular weight of 253.26 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)benzaldehyde is sourced from PubChem (CID 708797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).