5-chloro-2-[(3-propylimidazol-4-yl)methoxy]benzaldehyde

C14H15ClN2O2 — CID 66154570

IUPAC5-chloro-2-[(3-propylimidazol-4-yl)methoxy]benzaldehyde
SMILESCCCn1cncc1COc1ccc(Cl)cc1C=O
InChIInChI=1S/C14H15ClN2O2/c1-2-5-17-10-16-7-13(17)9-19-14-4-3-12(15)6-11(14)8-18/h3-4,6-8,10H,2,5,9H2,1H3
InChIKeyDPUYFVXHIZFHCH-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.34
Rot. Bonds6

About 5-chloro-2-[(3-propylimidazol-4-yl)methoxy]benzaldehyde

5-chloro-2-[(3-propylimidazol-4-yl)methoxy]benzaldehyde (PubChem CID 66154570) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 5-chloro-2-[(3-propylimidazol-4-yl)methoxy]benzaldehyde.

Molecular Properties

Compound Name5-chloro-2-[(3-propylimidazol-4-yl)methoxy]benzaldehyde
PubChem CID66154570
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name5-chloro-2-[(3-propylimidazol-4-yl)methoxy]benzaldehyde
SMILESCCCn1cncc1COc1ccc(Cl)cc1C=O
InChIInChI=1S/C14H15ClN2O2/c1-2-5-17-10-16-7-13(17)9-19-14-4-3-12(15)6-11(14)8-18/h3-4,6-8,10H,2,5,9H2,1H3
InChIKeyDPUYFVXHIZFHCH-UHFFFAOYSA-N
XLogP3.34
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
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

1-[5-chloro-2-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 66154177
4-chloro-2-[(3-propylimidazol-4-yl)methoxy]benzonitrile
CID 114322780
3,5-dibromo-4-[(3-propylimidazol-4-yl)methoxy]benzaldehyde
CID 107738352
1-[3-fluoro-4-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 107686431
2-[(3-ethylimidazol-4-yl)methoxy]-4-propoxybenzaldehyde
CID 66154912
1-[5-bromo-2-[(3-propylimidazol-4-yl)methoxy]phenyl]ethanone
CID 66152642
5-chloro-3-methoxy-2-[(3-methylimidazol-4-yl)methoxy]benzaldehyde
CID 104665577
5-chloro-2-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 62699555
N-[[5-chloro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-1-amine
CID 66140107
6-[(3-ethylimidazol-4-yl)methoxy]-1,3-benzodioxole-5-carbaldehyde
CID 66152420
2-[(3-methylimidazol-4-yl)methoxy]-4-propoxybenzaldehyde
CID 66141723
[6-methyl-3-[(3-propylimidazol-4-yl)methoxy]-2-pyridinyl]methanamine
CID 79163082

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(3-propylimidazol-4-yl)methoxy]benzaldehyde?
The IUPAC name of 5-chloro-2-[(3-propylimidazol-4-yl)methoxy]benzaldehyde (CID 66154570) is 5-chloro-2-[(3-propylimidazol-4-yl)methoxy]benzaldehyde.
What is the SMILES notation for 5-chloro-2-[(3-propylimidazol-4-yl)methoxy]benzaldehyde?
The canonical SMILES for 5-chloro-2-[(3-propylimidazol-4-yl)methoxy]benzaldehyde is CCCn1cncc1COc1ccc(Cl)cc1C=O.
What is the InChIKey of 5-chloro-2-[(3-propylimidazol-4-yl)methoxy]benzaldehyde?
The InChIKey is DPUYFVXHIZFHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-2-5-17-10-16-7-13(17)9-19-14-4-3-12(15)6-11(14)8-18/h3-4,6-8,10H,2,5,9H2,1H3.
What are the key properties of 5-chloro-2-[(3-propylimidazol-4-yl)methoxy]benzaldehyde?
5-chloro-2-[(3-propylimidazol-4-yl)methoxy]benzaldehyde has a molecular weight of 278.74 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(3-propylimidazol-4-yl)methoxy]benzaldehyde is sourced from PubChem (CID 66154570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).