2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-methoxybenzaldehyde

C13H13ClN2O3 — CID 60753223

IUPAC2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)c(OCc2ncc(Cl)n2C)c1
InChIInChI=1S/C13H13ClN2O3/c1-16-12(14)6-15-13(16)8-19-11-5-10(18-2)4-3-9(11)7-17/h3-7H,8H2,1-2H3
InChIKeyBAABHLIBMSTYLU-UHFFFAOYSA-N
MW280.71 g/mol
LogP2.47
Rot. Bonds5

About 2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-methoxybenzaldehyde

2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-methoxybenzaldehyde (PubChem CID 60753223) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is 2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-methoxybenzaldehyde.

Molecular Properties

Compound Name2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-methoxybenzaldehyde
PubChem CID60753223
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)c(OCc2ncc(Cl)n2C)c1
InChIInChI=1S/C13H13ClN2O3/c1-16-12(14)6-15-13(16)8-19-11-5-10(18-2)4-3-9(11)7-17/h3-7H,8H2,1-2H3
InChIKeyBAABHLIBMSTYLU-UHFFFAOYSA-N
XLogP2.47
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 52.47
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

4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-methoxybenzaldehyde
CID 43217182
4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzaldehyde
CID 66153443
2-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxybenzaldehyde
CID 115886848
2-chloro-3-[(5-chloro-1-methylimidazol-2-yl)methoxy]pyridine
CID 64983187
[4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-methoxyphenyl]methanamine
CID 60878684
1-[(5-chloro-1-methylimidazol-2-yl)methyl]-6-methoxyindole-2,3-dione
CID 61355412
2-(2-chloroprop-2-enoxy)-4-methoxybenzaldehyde
CID 60746518
2-(imidazo[1,5-a]pyridin-8-ylmethoxy)-4-methoxybenzaldehyde
CID 71621614
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-5-methoxybenzaldehyde
CID 115582249
2-(ethoxymethoxy)-4-methoxybenzaldehyde
CID 65369635
4-methoxy-2-(2-piperidin-1-ylethoxy)benzaldehyde
CID 22685969
2-[3-(dimethylamino)propoxy]-4-methoxybenzaldehyde
CID 22684190

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-methoxybenzaldehyde?
The IUPAC name of 2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-methoxybenzaldehyde (CID 60753223) is 2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-methoxybenzaldehyde.
What is the SMILES notation for 2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-methoxybenzaldehyde?
The canonical SMILES for 2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-methoxybenzaldehyde is COc1ccc(C=O)c(OCc2ncc(Cl)n2C)c1.
What is the InChIKey of 2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-methoxybenzaldehyde?
The InChIKey is BAABHLIBMSTYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c1-16-12(14)6-15-13(16)8-19-11-5-10(18-2)4-3-9(11)7-17/h3-7H,8H2,1-2H3.
What are the key properties of 2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-methoxybenzaldehyde?
2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-methoxybenzaldehyde has a molecular weight of 280.71 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-methoxybenzaldehyde is sourced from PubChem (CID 60753223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).