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

C14H11N3O2 — CID 708792

IUPAC3-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)benzaldehyde
SMILESO=Cc1cccc(OCc2cn3cccnc3n2)c1
InChIInChI=1S/C14H11N3O2/c18-9-11-3-1-4-13(7-11)19-10-12-8-17-6-2-5-15-14(17)16-12/h1-9H,10H2
InChIKeyQQWSNDBGARACAW-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.12
Rot. Bonds4

About 3-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)benzaldehyde

3-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)benzaldehyde (PubChem CID 708792) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)benzaldehyde.

Molecular Properties

Compound Name3-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)benzaldehyde
PubChem CID708792
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name3-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)benzaldehyde
SMILESO=Cc1cccc(OCc2cn3cccnc3n2)c1
InChIInChI=1S/C14H11N3O2/c18-9-11-3-1-4-13(7-11)19-10-12-8-17-6-2-5-15-14(17)16-12/h1-9H,10H2
InChIKeyQQWSNDBGARACAW-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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Related Compounds

2-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)benzaldehyde
CID 708797
2-[4-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)phenyl]acetic acid
CID 43310274
3-[(1-butan-2-ylpyrazol-3-yl)methoxy]benzaldehyde
CID 64800173
3-(quinolin-8-ylmethoxy)benzaldehyde
CID 28775093
2-[(2-nitrophenoxy)methyl]imidazo[1,2-a]pyrimidine
CID 703407
3-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 14972990
3-[[3-[[3-[(3-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzaldehyde
CID 11156824
3-(fluoromethoxy)benzaldehyde
CID 22718686
3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde
CID 54959294
3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzaldehyde
CID 10637727
2-imidazo[1,2-a]pyrimidin-2-ylethanamine;hydrobromide
CID 71756465
3-butoxybenzaldehyde;ethane
CID 91380350

Frequently Asked Questions

What is the IUPAC name of 3-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)benzaldehyde?
The IUPAC name of 3-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)benzaldehyde (CID 708792) is 3-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)benzaldehyde.
What is the SMILES notation for 3-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)benzaldehyde?
The canonical SMILES for 3-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)benzaldehyde is O=Cc1cccc(OCc2cn3cccnc3n2)c1.
What is the InChIKey of 3-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)benzaldehyde?
The InChIKey is QQWSNDBGARACAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c18-9-11-3-1-4-13(7-11)19-10-12-8-17-6-2-5-15-14(17)16-12/h1-9H,10H2.
What are the key properties of 3-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)benzaldehyde?
3-(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 3-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)benzaldehyde is sourced from PubChem (CID 708792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).