3,5-dibromo-4-[(3-propylimidazol-4-yl)methoxy]benzaldehyde

C14H14Br2N2O2 — CID 107738352

IUPAC3,5-dibromo-4-[(3-propylimidazol-4-yl)methoxy]benzaldehyde
SMILESCCCn1cncc1COc1c(Br)cc(C=O)cc1Br
InChIInChI=1S/C14H14Br2N2O2/c1-2-3-18-9-17-6-11(18)8-20-14-12(15)4-10(7-19)5-13(14)16/h4-7,9H,2-3,8H2,1H3
InChIKeySBCBJFIDJUWNDB-UHFFFAOYSA-N
MW402.09 g/mol
LogP4.21
Rot. Bonds6

About 3,5-dibromo-4-[(3-propylimidazol-4-yl)methoxy]benzaldehyde

3,5-dibromo-4-[(3-propylimidazol-4-yl)methoxy]benzaldehyde (PubChem CID 107738352) has the molecular formula C14H14Br2N2O2 and a molecular weight of 402.09 g/mol. Its IUPAC name is 3,5-dibromo-4-[(3-propylimidazol-4-yl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3,5-dibromo-4-[(3-propylimidazol-4-yl)methoxy]benzaldehyde
PubChem CID107738352
Molecular FormulaC14H14Br2N2O2
Molecular Weight402.09 g/mol
Exact Mass399.94
IUPAC Name3,5-dibromo-4-[(3-propylimidazol-4-yl)methoxy]benzaldehyde
SMILESCCCn1cncc1COc1c(Br)cc(C=O)cc1Br
InChIInChI=1S/C14H14Br2N2O2/c1-2-3-18-9-17-6-11(18)8-20-14-12(15)4-10(7-19)5-13(14)16/h4-7,9H,2-3,8H2,1H3
InChIKeySBCBJFIDJUWNDB-UHFFFAOYSA-N
XLogP4.21
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.09
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3,5-dibromo-4-[(3-methylimidazol-4-yl)methoxy]benzaldehyde
CID 107738138
5-chloro-2-[(3-propylimidazol-4-yl)methoxy]benzaldehyde
CID 66154570
3,5-dibromo-4-butoxybenzaldehyde
CID 103601560
1-[5-bromo-2-[(3-propylimidazol-4-yl)methoxy]phenyl]ethanone
CID 66152642
3,5-dibromo-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
CID 107738411
[3-methyl-2-[(3-propylimidazol-4-yl)methoxy]phenyl]methanamine
CID 112607433
1-[(3-propylimidazol-4-yl)methyl]imidazole-2-carbaldehyde
CID 66154390
4-chloro-2-[(3-propylimidazol-4-yl)methoxy]benzonitrile
CID 114322780
3,5-dibromo-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CID 107738309
N-methyl-1-[4-[(3-propylimidazol-4-yl)methoxy]phenyl]methanamine
CID 66154174
3,5-dibromo-4-(3-bromopropoxy)benzaldehyde
CID 86075409
[5-bromo-2-[(3-ethylimidazol-4-yl)methoxy]-3-methylphenyl]methanol
CID 112621150

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-[(3-propylimidazol-4-yl)methoxy]benzaldehyde?
The IUPAC name of 3,5-dibromo-4-[(3-propylimidazol-4-yl)methoxy]benzaldehyde (CID 107738352) is 3,5-dibromo-4-[(3-propylimidazol-4-yl)methoxy]benzaldehyde.
What is the SMILES notation for 3,5-dibromo-4-[(3-propylimidazol-4-yl)methoxy]benzaldehyde?
The canonical SMILES for 3,5-dibromo-4-[(3-propylimidazol-4-yl)methoxy]benzaldehyde is CCCn1cncc1COc1c(Br)cc(C=O)cc1Br.
What is the InChIKey of 3,5-dibromo-4-[(3-propylimidazol-4-yl)methoxy]benzaldehyde?
The InChIKey is SBCBJFIDJUWNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2O2/c1-2-3-18-9-17-6-11(18)8-20-14-12(15)4-10(7-19)5-13(14)16/h4-7,9H,2-3,8H2,1H3.
What are the key properties of 3,5-dibromo-4-[(3-propylimidazol-4-yl)methoxy]benzaldehyde?
3,5-dibromo-4-[(3-propylimidazol-4-yl)methoxy]benzaldehyde has a molecular weight of 402.09 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-[(3-propylimidazol-4-yl)methoxy]benzaldehyde is sourced from PubChem (CID 107738352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).