2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]pyridine-4-carbaldehyde

C16H11Cl2N3O — CID 118956714

IUPAC2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]pyridine-4-carbaldehyde
SMILESO=Cc1ccnc(-c2cn(Cc3cccc(Cl)c3Cl)cn2)c1
InChIInChI=1S/C16H11Cl2N3O/c17-13-3-1-2-12(16(13)18)7-21-8-15(20-10-21)14-6-11(9-22)4-5-19-14/h1-6,8-10H,7H2
InChIKeyITNUCWVKNADJQH-UHFFFAOYSA-N
MW332.19 g/mol
LogP4.11
Rot. Bonds4

About 2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]pyridine-4-carbaldehyde

2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]pyridine-4-carbaldehyde (PubChem CID 118956714) has the molecular formula C16H11Cl2N3O and a molecular weight of 332.19 g/mol. Its IUPAC name is 2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]pyridine-4-carbaldehyde
PubChem CID118956714
Molecular FormulaC16H11Cl2N3O
Molecular Weight332.19 g/mol
Exact Mass331.03
IUPAC Name2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]pyridine-4-carbaldehyde
SMILESO=Cc1ccnc(-c2cn(Cc3cccc(Cl)c3Cl)cn2)c1
InChIInChI=1S/C16H11Cl2N3O/c17-13-3-1-2-12(16(13)18)7-21-8-15(20-10-21)14-6-11(9-22)4-5-19-14/h1-6,8-10H,7H2
InChIKeyITNUCWVKNADJQH-UHFFFAOYSA-N
XLogP4.11
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]pyridine-4-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 2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]pyridine-4-carbaldehyde?
The IUPAC name of 2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]pyridine-4-carbaldehyde (CID 118956714) is 2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]pyridine-4-carbaldehyde.
What is the SMILES notation for 2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]pyridine-4-carbaldehyde?
The canonical SMILES for 2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]pyridine-4-carbaldehyde is O=Cc1ccnc(-c2cn(Cc3cccc(Cl)c3Cl)cn2)c1.
What is the InChIKey of 2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]pyridine-4-carbaldehyde?
The InChIKey is ITNUCWVKNADJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O/c17-13-3-1-2-12(16(13)18)7-21-8-15(20-10-21)14-6-11(9-22)4-5-19-14/h1-6,8-10H,7H2.
What are the key properties of 2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]pyridine-4-carbaldehyde?
2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]pyridine-4-carbaldehyde has a molecular weight of 332.19 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]pyridine-4-carbaldehyde is sourced from PubChem (CID 118956714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).