5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]benzaldehyde

C14H16N2O2 — CID 63324827

IUPAC5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]benzaldehyde
SMILESCc1ccc(OCCn2ccnc2C)c(C=O)c1
InChIInChI=1S/C14H16N2O2/c1-11-3-4-14(13(9-11)10-17)18-8-7-16-6-5-15-12(16)2/h3-6,9-10H,7-8H2,1-2H3
InChIKeyRBSSELQXOOTNFV-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.39
Rot. Bonds5

About 5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]benzaldehyde

5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]benzaldehyde (PubChem CID 63324827) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]benzaldehyde.

Molecular Properties

Compound Name5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]benzaldehyde
PubChem CID63324827
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]benzaldehyde
SMILESCc1ccc(OCCn2ccnc2C)c(C=O)c1
InChIInChI=1S/C14H16N2O2/c1-11-3-4-14(13(9-11)10-17)18-8-7-16-6-5-15-12(16)2/h3-6,9-10H,7-8H2,1-2H3
InChIKeyRBSSELQXOOTNFV-UHFFFAOYSA-N
XLogP2.39
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.39
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

2-[(1-ethylimidazol-2-yl)methoxy]-5-methylbenzaldehyde
CID 63325007
4-[2-(2-methylimidazol-1-yl)ethoxy]-3-(trifluoromethyl)benzaldehyde
CID 63320344
2-[4-(2-formyl-4-methylphenoxy)butoxy]-5-methylbenzaldehyde
CID 51358055
N-methyl-1-[5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine
CID 61493032
2-methyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]imidazole;oxalic acid
CID 2935561
[3-methyl-4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]boronic acid
CID 63216862
N-[[5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 63327094
3-chloro-4-[2-(2-methylimidazol-1-yl)ethoxy]aniline
CID 54961449
3-fluoro-4-[2-(2-methylimidazol-1-yl)ethoxy]aniline
CID 54961547
N-ethyl-1-[4-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine
CID 63641006
[3-bromo-4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanol
CID 63051116
2-[4-methoxy-3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine
CID 61493364

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]benzaldehyde?
The IUPAC name of 5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]benzaldehyde (CID 63324827) is 5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]benzaldehyde.
What is the SMILES notation for 5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]benzaldehyde?
The canonical SMILES for 5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]benzaldehyde is Cc1ccc(OCCn2ccnc2C)c(C=O)c1.
What is the InChIKey of 5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]benzaldehyde?
The InChIKey is RBSSELQXOOTNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-11-3-4-14(13(9-11)10-17)18-8-7-16-6-5-15-12(16)2/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]benzaldehyde?
5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]benzaldehyde has a molecular weight of 244.29 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]benzaldehyde is sourced from PubChem (CID 63324827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).