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

C12H10Br2N2O2 — CID 107738138

IUPAC3,5-dibromo-4-[(3-methylimidazol-4-yl)methoxy]benzaldehyde
SMILESCn1cncc1COc1c(Br)cc(C=O)cc1Br
InChIInChI=1S/C12H10Br2N2O2/c1-16-7-15-4-9(16)6-18-12-10(13)2-8(5-17)3-11(12)14/h2-5,7H,6H2,1H3
InChIKeyYYGMAOWYUQFIMB-UHFFFAOYSA-N
MW374.03 g/mol
LogP3.34
Rot. Bonds4

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

3,5-dibromo-4-[(3-methylimidazol-4-yl)methoxy]benzaldehyde (PubChem CID 107738138) has the molecular formula C12H10Br2N2O2 and a molecular weight of 374.03 g/mol. Its IUPAC name is 3,5-dibromo-4-[(3-methylimidazol-4-yl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3,5-dibromo-4-[(3-methylimidazol-4-yl)methoxy]benzaldehyde
PubChem CID107738138
Molecular FormulaC12H10Br2N2O2
Molecular Weight374.03 g/mol
Exact Mass371.91
IUPAC Name3,5-dibromo-4-[(3-methylimidazol-4-yl)methoxy]benzaldehyde
SMILESCn1cncc1COc1c(Br)cc(C=O)cc1Br
InChIInChI=1S/C12H10Br2N2O2/c1-16-7-15-4-9(16)6-18-12-10(13)2-8(5-17)3-11(12)14/h2-5,7H,6H2,1H3
InChIKeyYYGMAOWYUQFIMB-UHFFFAOYSA-N
XLogP3.34
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.03
LogP ≤ 53.34
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-propylimidazol-4-yl)methoxy]benzaldehyde
CID 107738352
5-chloro-3-methoxy-2-[(3-methylimidazol-4-yl)methoxy]benzaldehyde
CID 104665577
5-bromo-3-methyl-2-[(3-methylimidazol-4-yl)methoxy]benzoic acid
CID 112620901
3,5-dimethyl-4-[(3-methylimidazol-4-yl)methoxy]benzoic acid
CID 66139927
3-bromo-5-[(3-methylimidazol-4-yl)methoxy]pyridine
CID 66140514
3,5-dibromo-4-(3-bromopropoxy)benzaldehyde
CID 86075409
[3-bromo-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine
CID 66141104
3,5-dibromo-4-butoxybenzaldehyde
CID 103601560
N-[[3,5-dimethyl-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 66141916
3,5-dibromo-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
CID 107738411
3,5-dibromo-4-(3-chloro-2-methylprop-2-enoxy)benzaldehyde
CID 106438593
3,5-dibromo-4-[(3-chlorophenyl)methoxy]benzaldehyde
CID 4770151

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-[(3-methylimidazol-4-yl)methoxy]benzaldehyde?
The IUPAC name of 3,5-dibromo-4-[(3-methylimidazol-4-yl)methoxy]benzaldehyde (CID 107738138) is 3,5-dibromo-4-[(3-methylimidazol-4-yl)methoxy]benzaldehyde.
What is the SMILES notation for 3,5-dibromo-4-[(3-methylimidazol-4-yl)methoxy]benzaldehyde?
The canonical SMILES for 3,5-dibromo-4-[(3-methylimidazol-4-yl)methoxy]benzaldehyde is Cn1cncc1COc1c(Br)cc(C=O)cc1Br.
What is the InChIKey of 3,5-dibromo-4-[(3-methylimidazol-4-yl)methoxy]benzaldehyde?
The InChIKey is YYGMAOWYUQFIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2O2/c1-16-7-15-4-9(16)6-18-12-10(13)2-8(5-17)3-11(12)14/h2-5,7H,6H2,1H3.
What are the key properties of 3,5-dibromo-4-[(3-methylimidazol-4-yl)methoxy]benzaldehyde?
3,5-dibromo-4-[(3-methylimidazol-4-yl)methoxy]benzaldehyde has a molecular weight of 374.03 g/mol, XLogP of 3.34, 4 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-methylimidazol-4-yl)methoxy]benzaldehyde is sourced from PubChem (CID 107738138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).