5-(3-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4-(4-methylphenyl)imidazolidine-1-carbaldehyde

C27H29ClN2O3 — CID 134370531

IUPAC5-(3-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4-(4-methylphenyl)imidazolidine-1-carbaldehyde
SMILESCOc1ccc(C2NC(c3ccc(C)cc3)C(c3cccc(Cl)c3)N2C=O)c(OC(C)C)c1
InChIInChI=1S/C27H29ClN2O3/c1-17(2)33-24-15-22(32-4)12-13-23(24)27-29-25(19-10-8-18(3)9-11-19)26(30(27)16-31)20-6-5-7-21(28)14-20/h5-17,25-27,29H,1-4H3
InChIKeyVICOZZUDBQMAIS-UHFFFAOYSA-N
MW464.99 g/mol
LogP5.99
Rot. Bonds7

About 5-(3-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4-(4-methylphenyl)imidazolidine-1-carbaldehyde

5-(3-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4-(4-methylphenyl)imidazolidine-1-carbaldehyde (PubChem CID 134370531) has the molecular formula C27H29ClN2O3 and a molecular weight of 464.99 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4-(4-methylphenyl)imidazolidine-1-carbaldehyde.

Molecular Properties

Compound Name5-(3-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4-(4-methylphenyl)imidazolidine-1-carbaldehyde
PubChem CID134370531
Molecular FormulaC27H29ClN2O3
Molecular Weight464.99 g/mol
Exact Mass464.19
IUPAC Name5-(3-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4-(4-methylphenyl)imidazolidine-1-carbaldehyde
SMILESCOc1ccc(C2NC(c3ccc(C)cc3)C(c3cccc(Cl)c3)N2C=O)c(OC(C)C)c1
InChIInChI=1S/C27H29ClN2O3/c1-17(2)33-24-15-22(32-4)12-13-23(24)27-29-25(19-10-8-18(3)9-11-19)26(30(27)16-31)20-6-5-7-21(28)14-20/h5-17,25-27,29H,1-4H3
InChIKeyVICOZZUDBQMAIS-UHFFFAOYSA-N
XLogP5.99
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.99
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(3-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4-(4-methylphenyl)imidazolidine-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4-(4-methylphenyl)imidazolidine-1-carbaldehyde?
The IUPAC name of 5-(3-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4-(4-methylphenyl)imidazolidine-1-carbaldehyde (CID 134370531) is 5-(3-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4-(4-methylphenyl)imidazolidine-1-carbaldehyde.
What is the SMILES notation for 5-(3-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4-(4-methylphenyl)imidazolidine-1-carbaldehyde?
The canonical SMILES for 5-(3-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4-(4-methylphenyl)imidazolidine-1-carbaldehyde is COc1ccc(C2NC(c3ccc(C)cc3)C(c3cccc(Cl)c3)N2C=O)c(OC(C)C)c1.
What is the InChIKey of 5-(3-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4-(4-methylphenyl)imidazolidine-1-carbaldehyde?
The InChIKey is VICOZZUDBQMAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN2O3/c1-17(2)33-24-15-22(32-4)12-13-23(24)27-29-25(19-10-8-18(3)9-11-19)26(30(27)16-31)20-6-5-7-21(28)14-20/h5-17,25-27,29H,1-4H3.
What are the key properties of 5-(3-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4-(4-methylphenyl)imidazolidine-1-carbaldehyde?
5-(3-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4-(4-methylphenyl)imidazolidine-1-carbaldehyde has a molecular weight of 464.99 g/mol, XLogP of 5.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4-(4-methylphenyl)imidazolidine-1-carbaldehyde is sourced from PubChem (CID 134370531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).