5-chloro-2-(dimethylamino)-1-(4-methylphenyl)imidazole-4-carbaldehyde

C13H14ClN3O — CID 10825476

IUPAC5-chloro-2-(dimethylamino)-1-(4-methylphenyl)imidazole-4-carbaldehyde
SMILESCc1ccc(-n2c(N(C)C)nc(C=O)c2Cl)cc1
InChIInChI=1S/C13H14ClN3O/c1-9-4-6-10(7-5-9)17-12(14)11(8-18)15-13(17)16(2)3/h4-8H,1-3H3
InChIKeyOGXMCATXDAWSDC-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.71
Rot. Bonds3

About 5-chloro-2-(dimethylamino)-1-(4-methylphenyl)imidazole-4-carbaldehyde

5-chloro-2-(dimethylamino)-1-(4-methylphenyl)imidazole-4-carbaldehyde (PubChem CID 10825476) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 5-chloro-2-(dimethylamino)-1-(4-methylphenyl)imidazole-4-carbaldehyde.

Molecular Properties

Compound Name5-chloro-2-(dimethylamino)-1-(4-methylphenyl)imidazole-4-carbaldehyde
PubChem CID10825476
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name5-chloro-2-(dimethylamino)-1-(4-methylphenyl)imidazole-4-carbaldehyde
SMILESCc1ccc(-n2c(N(C)C)nc(C=O)c2Cl)cc1
InChIInChI=1S/C13H14ClN3O/c1-9-4-6-10(7-5-9)17-12(14)11(8-18)15-13(17)16(2)3/h4-8H,1-3H3
InChIKeyOGXMCATXDAWSDC-UHFFFAOYSA-N
XLogP2.71
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(dimethylamino)-1-(4-methylphenyl)imidazole-4-carbaldehyde?
The IUPAC name of 5-chloro-2-(dimethylamino)-1-(4-methylphenyl)imidazole-4-carbaldehyde (CID 10825476) is 5-chloro-2-(dimethylamino)-1-(4-methylphenyl)imidazole-4-carbaldehyde.
What is the SMILES notation for 5-chloro-2-(dimethylamino)-1-(4-methylphenyl)imidazole-4-carbaldehyde?
The canonical SMILES for 5-chloro-2-(dimethylamino)-1-(4-methylphenyl)imidazole-4-carbaldehyde is Cc1ccc(-n2c(N(C)C)nc(C=O)c2Cl)cc1.
What is the InChIKey of 5-chloro-2-(dimethylamino)-1-(4-methylphenyl)imidazole-4-carbaldehyde?
The InChIKey is OGXMCATXDAWSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-9-4-6-10(7-5-9)17-12(14)11(8-18)15-13(17)16(2)3/h4-8H,1-3H3.
What are the key properties of 5-chloro-2-(dimethylamino)-1-(4-methylphenyl)imidazole-4-carbaldehyde?
5-chloro-2-(dimethylamino)-1-(4-methylphenyl)imidazole-4-carbaldehyde has a molecular weight of 263.73 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(dimethylamino)-1-(4-methylphenyl)imidazole-4-carbaldehyde is sourced from PubChem (CID 10825476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).