4-(4,5-dichloroimidazol-1-yl)aniline

C9H7Cl2N3 — CID 2735393

IUPAC4-(4,5-dichloroimidazol-1-yl)aniline
SMILESNc1ccc(-n2cnc(Cl)c2Cl)cc1
InChIInChI=1S/C9H7Cl2N3/c10-8-9(11)14(5-13-8)7-3-1-6(12)2-4-7/h1-5H,12H2
InChIKeyBPNGSEJDRLWEPM-UHFFFAOYSA-N
MW228.08 g/mol
LogP2.76
Rot. Bonds1

About 4-(4,5-dichloroimidazol-1-yl)aniline

4-(4,5-dichloroimidazol-1-yl)aniline (PubChem CID 2735393) has the molecular formula C9H7Cl2N3 and a molecular weight of 228.08 g/mol. Its IUPAC name is 4-(4,5-dichloroimidazol-1-yl)aniline.

Molecular Properties

Compound Name4-(4,5-dichloroimidazol-1-yl)aniline
PubChem CID2735393
Molecular FormulaC9H7Cl2N3
Molecular Weight228.08 g/mol
Exact Mass227.00
IUPAC Name4-(4,5-dichloroimidazol-1-yl)aniline
SMILESNc1ccc(-n2cnc(Cl)c2Cl)cc1
InChIInChI=1S/C9H7Cl2N3/c10-8-9(11)14(5-13-8)7-3-1-6(12)2-4-7/h1-5H,12H2
InChIKeyBPNGSEJDRLWEPM-UHFFFAOYSA-N
XLogP2.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dichloroimidazol-1-yl)aniline?
The IUPAC name of 4-(4,5-dichloroimidazol-1-yl)aniline (CID 2735393) is 4-(4,5-dichloroimidazol-1-yl)aniline.
What is the SMILES notation for 4-(4,5-dichloroimidazol-1-yl)aniline?
The canonical SMILES for 4-(4,5-dichloroimidazol-1-yl)aniline is Nc1ccc(-n2cnc(Cl)c2Cl)cc1.
What is the InChIKey of 4-(4,5-dichloroimidazol-1-yl)aniline?
The InChIKey is BPNGSEJDRLWEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3/c10-8-9(11)14(5-13-8)7-3-1-6(12)2-4-7/h1-5H,12H2.
What are the key properties of 4-(4,5-dichloroimidazol-1-yl)aniline?
4-(4,5-dichloroimidazol-1-yl)aniline has a molecular weight of 228.08 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dichloroimidazol-1-yl)aniline is sourced from PubChem (CID 2735393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).