4-[1-(2,4-dichlorophenyl)imidazol-4-yl]aniline

C15H11Cl2N3 — CID 15063062

IUPAC4-[1-(2,4-dichlorophenyl)imidazol-4-yl]aniline
SMILESNc1ccc(-c2cn(-c3ccc(Cl)cc3Cl)cn2)cc1
InChIInChI=1S/C15H11Cl2N3/c16-11-3-6-15(13(17)7-11)20-8-14(19-9-20)10-1-4-12(18)5-2-10/h1-9H,18H2
InChIKeyTVHWYVZEBVXHRY-UHFFFAOYSA-N
MW304.18 g/mol
LogP4.43
Rot. Bonds2

About 4-[1-(2,4-dichlorophenyl)imidazol-4-yl]aniline

4-[1-(2,4-dichlorophenyl)imidazol-4-yl]aniline (PubChem CID 15063062) has the molecular formula C15H11Cl2N3 and a molecular weight of 304.18 g/mol. Its IUPAC name is 4-[1-(2,4-dichlorophenyl)imidazol-4-yl]aniline.

Molecular Properties

Compound Name4-[1-(2,4-dichlorophenyl)imidazol-4-yl]aniline
PubChem CID15063062
Molecular FormulaC15H11Cl2N3
Molecular Weight304.18 g/mol
Exact Mass303.03
IUPAC Name4-[1-(2,4-dichlorophenyl)imidazol-4-yl]aniline
SMILESNc1ccc(-c2cn(-c3ccc(Cl)cc3Cl)cn2)cc1
InChIInChI=1S/C15H11Cl2N3/c16-11-3-6-15(13(17)7-11)20-8-14(19-9-20)10-1-4-12(18)5-2-10/h1-9H,18H2
InChIKeyTVHWYVZEBVXHRY-UHFFFAOYSA-N
XLogP4.43
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,4-dichlorophenyl)imidazol-4-yl]aniline?
The IUPAC name of 4-[1-(2,4-dichlorophenyl)imidazol-4-yl]aniline (CID 15063062) is 4-[1-(2,4-dichlorophenyl)imidazol-4-yl]aniline.
What is the SMILES notation for 4-[1-(2,4-dichlorophenyl)imidazol-4-yl]aniline?
The canonical SMILES for 4-[1-(2,4-dichlorophenyl)imidazol-4-yl]aniline is Nc1ccc(-c2cn(-c3ccc(Cl)cc3Cl)cn2)cc1.
What is the InChIKey of 4-[1-(2,4-dichlorophenyl)imidazol-4-yl]aniline?
The InChIKey is TVHWYVZEBVXHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3/c16-11-3-6-15(13(17)7-11)20-8-14(19-9-20)10-1-4-12(18)5-2-10/h1-9H,18H2.
What are the key properties of 4-[1-(2,4-dichlorophenyl)imidazol-4-yl]aniline?
4-[1-(2,4-dichlorophenyl)imidazol-4-yl]aniline has a molecular weight of 304.18 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,4-dichlorophenyl)imidazol-4-yl]aniline is sourced from PubChem (CID 15063062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).