2-[[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methoxy]acetaldehyde

C16H18Cl2N2O2S — CID 54509160

IUPAC2-[[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methoxy]acetaldehyde
SMILESCC(C)c1nc(COCC=O)n(C)c1Sc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H18Cl2N2O2S/c1-10(2)15-16(20(3)14(19-15)9-22-5-4-21)23-13-7-11(17)6-12(18)8-13/h4,6-8,10H,5,9H2,1-3H3
InChIKeyYHWOAXAJPLAXGZ-UHFFFAOYSA-N
MW373.31 g/mol
LogP4.72
Rot. Bonds7

About 2-[[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methoxy]acetaldehyde

2-[[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methoxy]acetaldehyde (PubChem CID 54509160) has the molecular formula C16H18Cl2N2O2S and a molecular weight of 373.31 g/mol. Its IUPAC name is 2-[[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methoxy]acetaldehyde.

Molecular Properties

Compound Name2-[[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methoxy]acetaldehyde
PubChem CID54509160
Molecular FormulaC16H18Cl2N2O2S
Molecular Weight373.31 g/mol
Exact Mass372.05
IUPAC Name2-[[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methoxy]acetaldehyde
SMILESCC(C)c1nc(COCC=O)n(C)c1Sc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H18Cl2N2O2S/c1-10(2)15-16(20(3)14(19-15)9-22-5-4-21)23-13-7-11(17)6-12(18)8-13/h4,6-8,10H,5,9H2,1-3H3
InChIKeyYHWOAXAJPLAXGZ-UHFFFAOYSA-N
XLogP4.72
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.31
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methoxy]acetaldehyde 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 2-[[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methoxy]acetaldehyde?
The IUPAC name of 2-[[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methoxy]acetaldehyde (CID 54509160) is 2-[[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methoxy]acetaldehyde.
What is the SMILES notation for 2-[[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methoxy]acetaldehyde?
The canonical SMILES for 2-[[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methoxy]acetaldehyde is CC(C)c1nc(COCC=O)n(C)c1Sc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methoxy]acetaldehyde?
The InChIKey is YHWOAXAJPLAXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O2S/c1-10(2)15-16(20(3)14(19-15)9-22-5-4-21)23-13-7-11(17)6-12(18)8-13/h4,6-8,10H,5,9H2,1-3H3.
What are the key properties of 2-[[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methoxy]acetaldehyde?
2-[[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methoxy]acetaldehyde has a molecular weight of 373.31 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methoxy]acetaldehyde is sourced from PubChem (CID 54509160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).