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

C16H14FN3O — CID 143932131

IUPAC2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methoxyaniline
SMILESCOc1ccc(-c2ncc(-c3ccc(F)cc3)[nH]2)c(N)c1
InChIInChI=1S/C16H14FN3O/c1-21-12-6-7-13(14(18)8-12)16-19-9-15(20-16)10-2-4-11(17)5-3-10/h2-9H,18H2,1H3,(H,19,20)
InChIKeyVTMRXWUINWIDRF-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.47
Rot. Bonds3

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

2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methoxyaniline (PubChem CID 143932131) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methoxyaniline.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methoxyaniline
PubChem CID143932131
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methoxyaniline
SMILESCOc1ccc(-c2ncc(-c3ccc(F)cc3)[nH]2)c(N)c1
InChIInChI=1S/C16H14FN3O/c1-21-12-6-7-13(14(18)8-12)16-19-9-15(20-16)10-2-4-11(17)5-3-10/h2-9H,18H2,1H3,(H,19,20)
InChIKeyVTMRXWUINWIDRF-UHFFFAOYSA-N
XLogP3.47
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-imidazole;hydrochloride
CID 18673126
4-chloro-2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline
CID 103386914
4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline
CID 103386907
3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline
CID 103386906
4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-3-methoxyphenol
CID 70667347
2-fluoro-1-(4-fluorophenyl)-4-methoxybenzene
CID 46312221
5-bromo-2-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]aniline
CID 103386879
5-(2-amino-4-methoxyphenyl)-1H-1,2,4-triazol-3-amine
CID 115412365
[3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methanamine;hydrochloride
CID 70196692
1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]ethanamine;dihydrochloride
CID 72716189
N-[4-chloro-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]-6,8-dimethoxyquinazolin-4-amine
CID 71496489

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methoxyaniline?
The IUPAC name of 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methoxyaniline (CID 143932131) is 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methoxyaniline.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methoxyaniline?
The canonical SMILES for 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methoxyaniline is COc1ccc(-c2ncc(-c3ccc(F)cc3)[nH]2)c(N)c1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methoxyaniline?
The InChIKey is VTMRXWUINWIDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-21-12-6-7-13(14(18)8-12)16-19-9-15(20-16)10-2-4-11(17)5-3-10/h2-9H,18H2,1H3,(H,19,20).
What are the key properties of 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methoxyaniline?
2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methoxyaniline has a molecular weight of 283.31 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methoxyaniline is sourced from PubChem (CID 143932131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).