1-[(2,4-dichlorophenyl)methyl]imidazole-4-carbaldehyde

C11H8Cl2N2O — CID 106716625

IUPAC1-[(2,4-dichlorophenyl)methyl]imidazole-4-carbaldehyde
SMILESO=Cc1cn(Cc2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C11H8Cl2N2O/c12-9-2-1-8(11(13)3-9)4-15-5-10(6-16)14-7-15/h1-3,5-7H,4H2
InChIKeyGSDVAQPFNLQQCL-UHFFFAOYSA-N
MW255.10 g/mol
LogP3.05
Rot. Bonds3

About 1-[(2,4-dichlorophenyl)methyl]imidazole-4-carbaldehyde

1-[(2,4-dichlorophenyl)methyl]imidazole-4-carbaldehyde (PubChem CID 106716625) has the molecular formula C11H8Cl2N2O and a molecular weight of 255.10 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]imidazole-4-carbaldehyde.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]imidazole-4-carbaldehyde
PubChem CID106716625
Molecular FormulaC11H8Cl2N2O
Molecular Weight255.10 g/mol
Exact Mass254.00
IUPAC Name1-[(2,4-dichlorophenyl)methyl]imidazole-4-carbaldehyde
SMILESO=Cc1cn(Cc2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C11H8Cl2N2O/c12-9-2-1-8(11(13)3-9)4-15-5-10(6-16)14-7-15/h1-3,5-7H,4H2
InChIKeyGSDVAQPFNLQQCL-UHFFFAOYSA-N
XLogP3.05
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[1-[(2,4-dichlorophenyl)methyl]imidazol-4-yl]ethyl]propan-1-amine
CID 79986003
1-[(2-methylquinolin-4-yl)methyl]imidazole-4-carbaldehyde
CID 106716499
[1-[(2,4-dichlorophenyl)methyl]pyrrol-3-yl]methanol
CID 66400580
2-(2,4-dichlorophenyl)acetaldehyde
CID 15948879
[1-[(2-chloro-4-methylphenyl)methyl]imidazol-4-yl]methanamine
CID 106865995
2-[(2,4-dichlorophenyl)methyl]-1,3-thiazole-4-carbaldehyde
CID 60998346
1-[(2,4-dichlorophenyl)methyl]-3-propan-2-yloxypyrazole-5-carbaldehyde
CID 86617643
1-[(1,3-diethylpyrazol-5-yl)methyl]imidazole-4-carbaldehyde
CID 106716494
1-[(2,4-dichlorophenyl)methyl]indazole-3-carbaldehyde;[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]methanol;methane
CID 159406876
N-[[1-[(4-chloro-2-nitrophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719100
[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]methanol
CID 62730183
methyl 2-[[4-(2,4-dichlorophenyl)imidazol-1-yl]methyl]benzoate
CID 141094208

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]imidazole-4-carbaldehyde?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]imidazole-4-carbaldehyde (CID 106716625) is 1-[(2,4-dichlorophenyl)methyl]imidazole-4-carbaldehyde.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]imidazole-4-carbaldehyde?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]imidazole-4-carbaldehyde is O=Cc1cn(Cc2ccc(Cl)cc2Cl)cn1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]imidazole-4-carbaldehyde?
The InChIKey is GSDVAQPFNLQQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O/c12-9-2-1-8(11(13)3-9)4-15-5-10(6-16)14-7-15/h1-3,5-7H,4H2.
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]imidazole-4-carbaldehyde?
1-[(2,4-dichlorophenyl)methyl]imidazole-4-carbaldehyde has a molecular weight of 255.10 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]imidazole-4-carbaldehyde is sourced from PubChem (CID 106716625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).