5-ethyl-4-(3-methylphenyl)-1H-imidazole-2-carbaldehyde

C13H14N2O — CID 105467718

IUPAC5-ethyl-4-(3-methylphenyl)-1H-imidazole-2-carbaldehyde
SMILESCCc1[nH]c(C=O)nc1-c1cccc(C)c1
InChIInChI=1S/C13H14N2O/c1-3-11-13(15-12(8-16)14-11)10-6-4-5-9(2)7-10/h4-8H,3H2,1-2H3,(H,14,15)
InChIKeyWHUUEJNKQOSHCA-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.76
Rot. Bonds3

About 5-ethyl-4-(3-methylphenyl)-1H-imidazole-2-carbaldehyde

5-ethyl-4-(3-methylphenyl)-1H-imidazole-2-carbaldehyde (PubChem CID 105467718) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 5-ethyl-4-(3-methylphenyl)-1H-imidazole-2-carbaldehyde.

Molecular Properties

Compound Name5-ethyl-4-(3-methylphenyl)-1H-imidazole-2-carbaldehyde
PubChem CID105467718
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name5-ethyl-4-(3-methylphenyl)-1H-imidazole-2-carbaldehyde
SMILESCCc1[nH]c(C=O)nc1-c1cccc(C)c1
InChIInChI=1S/C13H14N2O/c1-3-11-13(15-12(8-16)14-11)10-6-4-5-9(2)7-10/h4-8H,3H2,1-2H3,(H,14,15)
InChIKeyWHUUEJNKQOSHCA-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'}

Analyze 5-ethyl-4-(3-methylphenyl)-1H-imidazole-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-4-(3-methylphenyl)-1H-imidazole-2-carbaldehyde
CID 105452812
[5-ethyl-4-(3-methylphenyl)-1H-imidazol-2-yl]methanol
CID 105470026
5-ethyl-4-(3-methylphenyl)-1,3-thiazole-2-carbaldehyde
CID 105489991
4-(3-methylphenyl)-5-[3-[5-(3-methylphenyl)-2H-triazol-4-yl]phenyl]-2H-triazole
CID 118532825
5-bromo-4-(4-methylphenyl)-1H-imidazole-2-carbaldehyde
CID 82373917
1-ethyl-4-(3-methylphenyl)benzene
CID 12641077
2-(5-ethyl-2-methyl-1H-imidazol-4-yl)benzaldehyde
CID 105467724
4-(3-methylphenyl)-5-(5-methyl-1H-pyrrol-3-yl)-2H-triazole
CID 142183458
4-methyl-2-(3-methylphenyl)-5-propyl-1H-pyrimidin-6-one
CID 135418931
2-ethyl-6-(3-methylphenyl)-1H-pyrimidine-4-thione
CID 106515355
3-(2-amino-5-methyl-1H-imidazol-4-yl)benzaldehyde
CID 105453451
1-methyl-2-(3-methylphenyl)imidazole-4-carbaldehyde
CID 84669489

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(3-methylphenyl)-1H-imidazole-2-carbaldehyde?
The IUPAC name of 5-ethyl-4-(3-methylphenyl)-1H-imidazole-2-carbaldehyde (CID 105467718) is 5-ethyl-4-(3-methylphenyl)-1H-imidazole-2-carbaldehyde.
What is the SMILES notation for 5-ethyl-4-(3-methylphenyl)-1H-imidazole-2-carbaldehyde?
The canonical SMILES for 5-ethyl-4-(3-methylphenyl)-1H-imidazole-2-carbaldehyde is CCc1[nH]c(C=O)nc1-c1cccc(C)c1.
What is the InChIKey of 5-ethyl-4-(3-methylphenyl)-1H-imidazole-2-carbaldehyde?
The InChIKey is WHUUEJNKQOSHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-3-11-13(15-12(8-16)14-11)10-6-4-5-9(2)7-10/h4-8H,3H2,1-2H3,(H,14,15).
What are the key properties of 5-ethyl-4-(3-methylphenyl)-1H-imidazole-2-carbaldehyde?
5-ethyl-4-(3-methylphenyl)-1H-imidazole-2-carbaldehyde 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 5-ethyl-4-(3-methylphenyl)-1H-imidazole-2-carbaldehyde is sourced from PubChem (CID 105467718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).