5-chloro-3-methyl-1-(4-methylphenyl)-2-oxoimidazole-4-carbaldehyde

C12H11ClN2O2 — CID 13065512

IUPAC5-chloro-3-methyl-1-(4-methylphenyl)-2-oxoimidazole-4-carbaldehyde
SMILESCc1ccc(-n2c(Cl)c(C=O)n(C)c2=O)cc1
InChIInChI=1S/C12H11ClN2O2/c1-8-3-5-9(6-4-8)15-11(13)10(7-16)14(2)12(15)17/h3-7H,1-2H3
InChIKeyYFXGMMSEIXTUIL-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.95
Rot. Bonds2

About 5-chloro-3-methyl-1-(4-methylphenyl)-2-oxoimidazole-4-carbaldehyde

5-chloro-3-methyl-1-(4-methylphenyl)-2-oxoimidazole-4-carbaldehyde (PubChem CID 13065512) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 5-chloro-3-methyl-1-(4-methylphenyl)-2-oxoimidazole-4-carbaldehyde.

Molecular Properties

Compound Name5-chloro-3-methyl-1-(4-methylphenyl)-2-oxoimidazole-4-carbaldehyde
PubChem CID13065512
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name5-chloro-3-methyl-1-(4-methylphenyl)-2-oxoimidazole-4-carbaldehyde
SMILESCc1ccc(-n2c(Cl)c(C=O)n(C)c2=O)cc1
InChIInChI=1S/C12H11ClN2O2/c1-8-3-5-9(6-4-8)15-11(13)10(7-16)14(2)12(15)17/h3-7H,1-2H3
InChIKeyYFXGMMSEIXTUIL-UHFFFAOYSA-N
XLogP1.95
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 51.95
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-3-methyl-1-(4-methylphenyl)-2-oxoimidazole-4-carbaldehyde?
The IUPAC name of 5-chloro-3-methyl-1-(4-methylphenyl)-2-oxoimidazole-4-carbaldehyde (CID 13065512) is 5-chloro-3-methyl-1-(4-methylphenyl)-2-oxoimidazole-4-carbaldehyde.
What is the SMILES notation for 5-chloro-3-methyl-1-(4-methylphenyl)-2-oxoimidazole-4-carbaldehyde?
The canonical SMILES for 5-chloro-3-methyl-1-(4-methylphenyl)-2-oxoimidazole-4-carbaldehyde is Cc1ccc(-n2c(Cl)c(C=O)n(C)c2=O)cc1.
What is the InChIKey of 5-chloro-3-methyl-1-(4-methylphenyl)-2-oxoimidazole-4-carbaldehyde?
The InChIKey is YFXGMMSEIXTUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-8-3-5-9(6-4-8)15-11(13)10(7-16)14(2)12(15)17/h3-7H,1-2H3.
What are the key properties of 5-chloro-3-methyl-1-(4-methylphenyl)-2-oxoimidazole-4-carbaldehyde?
5-chloro-3-methyl-1-(4-methylphenyl)-2-oxoimidazole-4-carbaldehyde has a molecular weight of 250.69 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-1-(4-methylphenyl)-2-oxoimidazole-4-carbaldehyde is sourced from PubChem (CID 13065512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).