3-benzyl-5-chloro-2-(4-methoxyphenyl)imidazole-4-carbaldehyde

C18H15ClN2O2 — CID 15099329

IUPAC3-benzyl-5-chloro-2-(4-methoxyphenyl)imidazole-4-carbaldehyde
SMILESCOc1ccc(-c2nc(Cl)c(C=O)n2Cc2ccccc2)cc1
InChIInChI=1S/C18H15ClN2O2/c1-23-15-9-7-14(8-10-15)18-20-17(19)16(12-22)21(18)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3
InChIKeyMUPUILNKBXTUGA-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.07
Rot. Bonds5

About 3-benzyl-5-chloro-2-(4-methoxyphenyl)imidazole-4-carbaldehyde

3-benzyl-5-chloro-2-(4-methoxyphenyl)imidazole-4-carbaldehyde (PubChem CID 15099329) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 3-benzyl-5-chloro-2-(4-methoxyphenyl)imidazole-4-carbaldehyde.

Molecular Properties

Compound Name3-benzyl-5-chloro-2-(4-methoxyphenyl)imidazole-4-carbaldehyde
PubChem CID15099329
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name3-benzyl-5-chloro-2-(4-methoxyphenyl)imidazole-4-carbaldehyde
SMILESCOc1ccc(-c2nc(Cl)c(C=O)n2Cc2ccccc2)cc1
InChIInChI=1S/C18H15ClN2O2/c1-23-15-9-7-14(8-10-15)18-20-17(19)16(12-22)21(18)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3
InChIKeyMUPUILNKBXTUGA-UHFFFAOYSA-N
XLogP4.07
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.07
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 3-benzyl-5-chloro-2-(4-methoxyphenyl)imidazole-4-carbaldehyde?
The IUPAC name of 3-benzyl-5-chloro-2-(4-methoxyphenyl)imidazole-4-carbaldehyde (CID 15099329) is 3-benzyl-5-chloro-2-(4-methoxyphenyl)imidazole-4-carbaldehyde.
What is the SMILES notation for 3-benzyl-5-chloro-2-(4-methoxyphenyl)imidazole-4-carbaldehyde?
The canonical SMILES for 3-benzyl-5-chloro-2-(4-methoxyphenyl)imidazole-4-carbaldehyde is COc1ccc(-c2nc(Cl)c(C=O)n2Cc2ccccc2)cc1.
What is the InChIKey of 3-benzyl-5-chloro-2-(4-methoxyphenyl)imidazole-4-carbaldehyde?
The InChIKey is MUPUILNKBXTUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-23-15-9-7-14(8-10-15)18-20-17(19)16(12-22)21(18)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3.
What are the key properties of 3-benzyl-5-chloro-2-(4-methoxyphenyl)imidazole-4-carbaldehyde?
3-benzyl-5-chloro-2-(4-methoxyphenyl)imidazole-4-carbaldehyde has a molecular weight of 326.78 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-chloro-2-(4-methoxyphenyl)imidazole-4-carbaldehyde is sourced from PubChem (CID 15099329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).