2-fluoro-6-[(2-imidazol-1-ylanilino)methyl]phenol

C16H14FN3O — CID 115951077

IUPAC2-fluoro-6-[(2-imidazol-1-ylanilino)methyl]phenol
SMILESOc1c(F)cccc1CNc1ccccc1-n1ccnc1
InChIInChI=1S/C16H14FN3O/c17-13-5-3-4-12(16(13)21)10-19-14-6-1-2-7-15(14)20-9-8-18-11-20/h1-9,11,19,21H,10H2
InChIKeyNEBKBNBCZDBLHS-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.33
Rot. Bonds4

About 2-fluoro-6-[(2-imidazol-1-ylanilino)methyl]phenol

2-fluoro-6-[(2-imidazol-1-ylanilino)methyl]phenol (PubChem CID 115951077) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 2-fluoro-6-[(2-imidazol-1-ylanilino)methyl]phenol.

Molecular Properties

Compound Name2-fluoro-6-[(2-imidazol-1-ylanilino)methyl]phenol
PubChem CID115951077
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name2-fluoro-6-[(2-imidazol-1-ylanilino)methyl]phenol
SMILESOc1c(F)cccc1CNc1ccccc1-n1ccnc1
InChIInChI=1S/C16H14FN3O/c17-13-5-3-4-12(16(13)21)10-19-14-6-1-2-7-15(14)20-9-8-18-11-20/h1-9,11,19,21H,10H2
InChIKeyNEBKBNBCZDBLHS-UHFFFAOYSA-N
XLogP3.33
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-[(2-imidazol-1-ylanilino)methyl]benzene-1,2-diol
CID 61320323
N-[(2-ethylphenyl)methyl]-2-imidazol-1-ylaniline
CID 62392271
2-imidazol-1-yl-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 103347464
2-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline
CID 62763592
N-[(3,5-dichlorophenyl)methyl]-2-imidazol-1-ylaniline
CID 60789771
2-methyl-6-[(2-pyrazol-1-ylanilino)methyl]phenol
CID 115904144
2-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]aniline
CID 43673464
N-(2-ethylbutyl)-2-imidazol-1-ylaniline
CID 43673499
3-[[2-(1,2,4-triazol-1-yl)anilino]methyl]benzene-1,2-diol
CID 61318676
2-methyl-6-[[2-(1,2,4-triazol-1-yl)anilino]methyl]phenol
CID 115951256
N-[(1-ethylimidazol-2-yl)methyl]-2-imidazol-1-ylaniline
CID 62355714
N'-tert-butyl-N-(2-imidazol-1-ylphenyl)ethane-1,2-diamine
CID 107444874

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(2-imidazol-1-ylanilino)methyl]phenol?
The IUPAC name of 2-fluoro-6-[(2-imidazol-1-ylanilino)methyl]phenol (CID 115951077) is 2-fluoro-6-[(2-imidazol-1-ylanilino)methyl]phenol.
What is the SMILES notation for 2-fluoro-6-[(2-imidazol-1-ylanilino)methyl]phenol?
The canonical SMILES for 2-fluoro-6-[(2-imidazol-1-ylanilino)methyl]phenol is Oc1c(F)cccc1CNc1ccccc1-n1ccnc1.
What is the InChIKey of 2-fluoro-6-[(2-imidazol-1-ylanilino)methyl]phenol?
The InChIKey is NEBKBNBCZDBLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c17-13-5-3-4-12(16(13)21)10-19-14-6-1-2-7-15(14)20-9-8-18-11-20/h1-9,11,19,21H,10H2.
What are the key properties of 2-fluoro-6-[(2-imidazol-1-ylanilino)methyl]phenol?
2-fluoro-6-[(2-imidazol-1-ylanilino)methyl]phenol has a molecular weight of 283.31 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(2-imidazol-1-ylanilino)methyl]phenol is sourced from PubChem (CID 115951077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).