2-[3-(2,6-dimethylphenyl)-4-methoxyphenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carbaldehyde

C20H22N2O2 — CID 166844721

IUPAC2-[3-(2,6-dimethylphenyl)-4-methoxyphenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carbaldehyde
SMILESCOc1ccc(C2NC(C)=C(C=O)N2)cc1-c1c(C)cccc1C
InChIInChI=1S/C20H22N2O2/c1-12-6-5-7-13(2)19(12)16-10-15(8-9-18(16)24-4)20-21-14(3)17(11-23)22-20/h5-11,20-22H,1-4H3
InChIKeyOULPDBXMXXMTGA-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.60
Rot. Bonds4

About 2-[3-(2,6-dimethylphenyl)-4-methoxyphenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carbaldehyde

2-[3-(2,6-dimethylphenyl)-4-methoxyphenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carbaldehyde (PubChem CID 166844721) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[3-(2,6-dimethylphenyl)-4-methoxyphenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carbaldehyde.

Molecular Properties

Compound Name2-[3-(2,6-dimethylphenyl)-4-methoxyphenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carbaldehyde
PubChem CID166844721
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name2-[3-(2,6-dimethylphenyl)-4-methoxyphenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carbaldehyde
SMILESCOc1ccc(C2NC(C)=C(C=O)N2)cc1-c1c(C)cccc1C
InChIInChI=1S/C20H22N2O2/c1-12-6-5-7-13(2)19(12)16-10-15(8-9-18(16)24-4)20-21-14(3)17(11-23)22-20/h5-11,20-22H,1-4H3
InChIKeyOULPDBXMXXMTGA-UHFFFAOYSA-N
XLogP3.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.60
H-Bond Donors ≤ 52
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 2-[3-(2,6-dimethylphenyl)-4-methoxyphenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carbaldehyde?
The IUPAC name of 2-[3-(2,6-dimethylphenyl)-4-methoxyphenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carbaldehyde (CID 166844721) is 2-[3-(2,6-dimethylphenyl)-4-methoxyphenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carbaldehyde.
What is the SMILES notation for 2-[3-(2,6-dimethylphenyl)-4-methoxyphenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carbaldehyde?
The canonical SMILES for 2-[3-(2,6-dimethylphenyl)-4-methoxyphenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carbaldehyde is COc1ccc(C2NC(C)=C(C=O)N2)cc1-c1c(C)cccc1C.
What is the InChIKey of 2-[3-(2,6-dimethylphenyl)-4-methoxyphenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carbaldehyde?
The InChIKey is OULPDBXMXXMTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-12-6-5-7-13(2)19(12)16-10-15(8-9-18(16)24-4)20-21-14(3)17(11-23)22-20/h5-11,20-22H,1-4H3.
What are the key properties of 2-[3-(2,6-dimethylphenyl)-4-methoxyphenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carbaldehyde?
2-[3-(2,6-dimethylphenyl)-4-methoxyphenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carbaldehyde has a molecular weight of 322.41 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,6-dimethylphenyl)-4-methoxyphenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carbaldehyde is sourced from PubChem (CID 166844721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).