2-(5-ethyl-2-methyl-1H-imidazol-4-yl)benzaldehyde

C13H14N2O — CID 105467724

IUPAC2-(5-ethyl-2-methyl-1H-imidazol-4-yl)benzaldehyde
SMILESCCc1[nH]c(C)nc1-c1ccccc1C=O
InChIInChI=1S/C13H14N2O/c1-3-12-13(15-9(2)14-12)11-7-5-4-6-10(11)8-16/h4-8H,3H2,1-2H3,(H,14,15)
InChIKeyRAHVTQHICVXGDR-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.76
Rot. Bonds3

About 2-(5-ethyl-2-methyl-1H-imidazol-4-yl)benzaldehyde

2-(5-ethyl-2-methyl-1H-imidazol-4-yl)benzaldehyde (PubChem CID 105467724) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-(5-ethyl-2-methyl-1H-imidazol-4-yl)benzaldehyde.

Molecular Properties

Compound Name2-(5-ethyl-2-methyl-1H-imidazol-4-yl)benzaldehyde
PubChem CID105467724
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-(5-ethyl-2-methyl-1H-imidazol-4-yl)benzaldehyde
SMILESCCc1[nH]c(C)nc1-c1ccccc1C=O
InChIInChI=1S/C13H14N2O/c1-3-12-13(15-9(2)14-12)11-7-5-4-6-10(11)8-16/h4-8H,3H2,1-2H3,(H,14,15)
InChIKeyRAHVTQHICVXGDR-UHFFFAOYSA-N
XLogP2.76
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(oxo(113C)methyl)phenyl](13C2)benzaldehyde
CID 169434237
2-(2-amino-5-methyl-1,3-oxazol-4-yl)benzaldehyde
CID 105454155
2-(1-ethyl-5-methylpyrazol-4-yl)benzaldehyde
CID 66099113
[4-(2-chlorophenyl)-5-ethyl-1H-imidazol-2-yl]methanol
CID 105498426
2-methyl-1H-benzimidazole-4-carbaldehyde;dihydrochloride
CID 174788493
5-ethyl-4-(3-methylphenyl)-1H-imidazole-2-carbaldehyde
CID 105467718
2-(2-hydroxyphenyl)benzaldehyde
CID 15593934
2-(2-ethyl-1,2,4-triazol-3-yl)benzaldehyde
CID 130529860
2-(4-methyl-1,3-oxazol-2-yl)benzaldehyde
CID 115017229
2-(3-methoxypyrazin-2-yl)benzaldehyde
CID 104516168
2-[5,10-di(propan-2-yl)-2-sulfanylidene-1H-pyrazino[2,3-g]quinoxalin-3-yl]benzaldehyde
CID 167116957
2-(2H-triazol-4-yl)benzaldehyde
CID 23332019

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-methyl-1H-imidazol-4-yl)benzaldehyde?
The IUPAC name of 2-(5-ethyl-2-methyl-1H-imidazol-4-yl)benzaldehyde (CID 105467724) is 2-(5-ethyl-2-methyl-1H-imidazol-4-yl)benzaldehyde.
What is the SMILES notation for 2-(5-ethyl-2-methyl-1H-imidazol-4-yl)benzaldehyde?
The canonical SMILES for 2-(5-ethyl-2-methyl-1H-imidazol-4-yl)benzaldehyde is CCc1[nH]c(C)nc1-c1ccccc1C=O.
What is the InChIKey of 2-(5-ethyl-2-methyl-1H-imidazol-4-yl)benzaldehyde?
The InChIKey is RAHVTQHICVXGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-3-12-13(15-9(2)14-12)11-7-5-4-6-10(11)8-16/h4-8H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-(5-ethyl-2-methyl-1H-imidazol-4-yl)benzaldehyde?
2-(5-ethyl-2-methyl-1H-imidazol-4-yl)benzaldehyde has a molecular weight of 214.27 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-methyl-1H-imidazol-4-yl)benzaldehyde is sourced from PubChem (CID 105467724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).