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

C15H12FN3 — CID 103386907

IUPAC4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline
SMILESNc1ccc(-c2ncc(-c3ccc(F)cc3)[nH]2)cc1
InChIInChI=1S/C15H12FN3/c16-12-5-1-10(2-6-12)14-9-18-15(19-14)11-3-7-13(17)8-4-11/h1-9H,17H2,(H,18,19)
InChIKeyIQMXPHFGVPBRJC-UHFFFAOYSA-N
MW253.28 g/mol
LogP3.46
Rot. Bonds2

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

4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline (PubChem CID 103386907) has the molecular formula C15H12FN3 and a molecular weight of 253.28 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline
PubChem CID103386907
Molecular FormulaC15H12FN3
Molecular Weight253.28 g/mol
Exact Mass253.10
IUPAC Name4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline
SMILESNc1ccc(-c2ncc(-c3ccc(F)cc3)[nH]2)cc1
InChIInChI=1S/C15H12FN3/c16-12-5-1-10(2-6-12)14-9-18-15(19-14)11-3-7-13(17)8-4-11/h1-9H,17H2,(H,18,19)
InChIKeyIQMXPHFGVPBRJC-UHFFFAOYSA-N
XLogP3.46
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline
CID 103386906
4-[2-[4-(trifluoromethoxy)phenyl]-1H-imidazol-5-yl]aniline
CID 68628481
4-[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]aniline
CID 116877775
2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-imidazole;hydrochloride
CID 18673126
1-[4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]phenyl]ethanone
CID 172808427
4-[5-(5-bromo-2-fluorophenyl)-1H-imidazol-2-yl]aniline
CID 116877777
5-bromo-2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline
CID 103386916
4-chloro-2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline
CID 103386914
5-(4-fluorophenyl)-2-thiophen-2-yl-1H-imidazole
CID 99963188
2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methoxyaniline
CID 143932131
[4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]phenyl]methanamine
CID 116877873
[2-(4-fluorophenyl)-1H-imidazol-5-yl]methanamine
CID 63108865

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline?
The IUPAC name of 4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline (CID 103386907) is 4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline?
The canonical SMILES for 4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline is Nc1ccc(-c2ncc(-c3ccc(F)cc3)[nH]2)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline?
The InChIKey is IQMXPHFGVPBRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3/c16-12-5-1-10(2-6-12)14-9-18-15(19-14)11-3-7-13(17)8-4-11/h1-9H,17H2,(H,18,19).
What are the key properties of 4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline?
4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline has a molecular weight of 253.28 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline is sourced from PubChem (CID 103386907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).