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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Related Compounds

4-(bromomethyl)-1-(2,4-dichlorophenyl)imidazole
CID 130482663
1-(2-chlorophenyl)-4-(3,5-dimethylphenyl)imidazole
CID 174900546
3-chloro-4-(1,2,4-triazol-4-yl)aniline
CID 56828619
1-(2,4-dichlorophenyl)-3-phenylpyrazol-5-amine
CID 43381347
1-(2,4-dichlorophenyl)-3-(4-fluorophenyl)pyrazol-4-amine
CID 83203120
4-(2,4,6-trichlorophenyl)aniline
CID 19980994
3-amino-4-(2,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione
CID 64574516
4-(4-chloroimidazol-1-yl)-3-methoxyaniline
CID 58075757
2-[1-(2-chlorophenyl)imidazol-4-yl]ethanamine
CID 82472942
1-[1-(4-chloro-2-fluorophenyl)imidazol-4-yl]ethanamine
CID 134263748
3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazole-5-carboxylic acid
CID 171559503
5-[1-(2,4-dichlorophenyl)tetrazol-5-yl]benzene-1,3-diamine
CID 61353056

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).