4-chloro-2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline

C15H11ClFN3 — CID 103386914

IUPAC4-chloro-2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline
SMILESNc1ccc(Cl)cc1-c1ncc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C15H11ClFN3/c16-10-3-6-13(18)12(7-10)15-19-8-14(20-15)9-1-4-11(17)5-2-9/h1-8H,18H2,(H,19,20)
InChIKeyMNOJJMPQNGCOLF-UHFFFAOYSA-N
MW287.73 g/mol
LogP4.12
Rot. Bonds2

About 4-chloro-2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline

4-chloro-2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline (PubChem CID 103386914) has the molecular formula C15H11ClFN3 and a molecular weight of 287.73 g/mol. Its IUPAC name is 4-chloro-2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline.

Molecular Properties

Compound Name4-chloro-2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline
PubChem CID103386914
Molecular FormulaC15H11ClFN3
Molecular Weight287.73 g/mol
Exact Mass287.06
IUPAC Name4-chloro-2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline
SMILESNc1ccc(Cl)cc1-c1ncc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C15H11ClFN3/c16-10-3-6-13(18)12(7-10)15-19-8-14(20-15)9-1-4-11(17)5-2-9/h1-8H,18H2,(H,19,20)
InChIKeyMNOJJMPQNGCOLF-UHFFFAOYSA-N
XLogP4.12
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.73
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline
CID 103386916
2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methoxyaniline
CID 143932131
4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline
CID 103386907
3-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]pyridin-4-amine
CID 102970530
3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline
CID 103386906
4-chloro-2-(5-fluoro-3-pyridinyl)aniline
CID 81275393
4-chloro-2-(1H-imidazol-2-yl)aniline
CID 55254071
4-chloro-2-(3-chloro-4-fluorophenyl)aniline
CID 115504348
4-[2-(4-chloro-3-fluorophenyl)-1H-imidazol-5-yl]-N-methylaniline
CID 131992559
[5-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]furan-2-yl]methanamine
CID 103386793
4-[5-(5-bromo-2-fluorophenyl)-1H-imidazol-2-yl]aniline
CID 116877777
4-chloro-2-(3-fluorophenyl)aniline
CID 81275314

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline?
The IUPAC name of 4-chloro-2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline (CID 103386914) is 4-chloro-2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline.
What is the SMILES notation for 4-chloro-2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline?
The canonical SMILES for 4-chloro-2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline is Nc1ccc(Cl)cc1-c1ncc(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of 4-chloro-2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline?
The InChIKey is MNOJJMPQNGCOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3/c16-10-3-6-13(18)12(7-10)15-19-8-14(20-15)9-1-4-11(17)5-2-9/h1-8H,18H2,(H,19,20).
What are the key properties of 4-chloro-2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline?
4-chloro-2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline has a molecular weight of 287.73 g/mol, XLogP of 4.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline is sourced from PubChem (CID 103386914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).