4-(4-chloroimidazol-1-yl)-3-methoxyaniline

C10H10ClN3O — CID 58075757

IUPAC4-(4-chloroimidazol-1-yl)-3-methoxyaniline
SMILESCOc1cc(N)ccc1-n1cnc(Cl)c1
InChIInChI=1S/C10H10ClN3O/c1-15-9-4-7(12)2-3-8(9)14-5-10(11)13-6-14/h2-6H,12H2,1H3
InChIKeyDJCLJGKHLXTVTR-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.12
Rot. Bonds2

About 4-(4-chloroimidazol-1-yl)-3-methoxyaniline

4-(4-chloroimidazol-1-yl)-3-methoxyaniline (PubChem CID 58075757) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 4-(4-chloroimidazol-1-yl)-3-methoxyaniline.

Molecular Properties

Compound Name4-(4-chloroimidazol-1-yl)-3-methoxyaniline
PubChem CID58075757
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name4-(4-chloroimidazol-1-yl)-3-methoxyaniline
SMILESCOc1cc(N)ccc1-n1cnc(Cl)c1
InChIInChI=1S/C10H10ClN3O/c1-15-9-4-7(12)2-3-8(9)14-5-10(11)13-6-14/h2-6H,12H2,1H3
InChIKeyDJCLJGKHLXTVTR-UHFFFAOYSA-N
XLogP2.12
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-chloroimidazol-1-yl)-3-methoxyaniline 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 4-(4-chloroimidazol-1-yl)-3-methoxyaniline?
The IUPAC name of 4-(4-chloroimidazol-1-yl)-3-methoxyaniline (CID 58075757) is 4-(4-chloroimidazol-1-yl)-3-methoxyaniline.
What is the SMILES notation for 4-(4-chloroimidazol-1-yl)-3-methoxyaniline?
The canonical SMILES for 4-(4-chloroimidazol-1-yl)-3-methoxyaniline is COc1cc(N)ccc1-n1cnc(Cl)c1.
What is the InChIKey of 4-(4-chloroimidazol-1-yl)-3-methoxyaniline?
The InChIKey is DJCLJGKHLXTVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-15-9-4-7(12)2-3-8(9)14-5-10(11)13-6-14/h2-6H,12H2,1H3.
What are the key properties of 4-(4-chloroimidazol-1-yl)-3-methoxyaniline?
4-(4-chloroimidazol-1-yl)-3-methoxyaniline has a molecular weight of 223.66 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloroimidazol-1-yl)-3-methoxyaniline is sourced from PubChem (CID 58075757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).