2-fluoro-4-[(3-imidazol-1-ylanilino)methyl]phenol

C16H14FN3O — CID 107685401

IUPAC2-fluoro-4-[(3-imidazol-1-ylanilino)methyl]phenol
SMILESOc1ccc(CNc2cccc(-n3ccnc3)c2)cc1F
InChIInChI=1S/C16H14FN3O/c17-15-8-12(4-5-16(15)21)10-19-13-2-1-3-14(9-13)20-7-6-18-11-20/h1-9,11,19,21H,10H2
InChIKeyLWSLHUXMKIUPOO-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.33
Rot. Bonds4

About 2-fluoro-4-[(3-imidazol-1-ylanilino)methyl]phenol

2-fluoro-4-[(3-imidazol-1-ylanilino)methyl]phenol (PubChem CID 107685401) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 2-fluoro-4-[(3-imidazol-1-ylanilino)methyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[(3-imidazol-1-ylanilino)methyl]phenol
PubChem CID107685401
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name2-fluoro-4-[(3-imidazol-1-ylanilino)methyl]phenol
SMILESOc1ccc(CNc2cccc(-n3ccnc3)c2)cc1F
InChIInChI=1S/C16H14FN3O/c17-15-8-12(4-5-16(15)21)10-19-13-2-1-3-14(9-13)20-7-6-18-11-20/h1-9,11,19,21H,10H2
InChIKeyLWSLHUXMKIUPOO-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

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Related Compounds

4-[(3-imidazol-1-ylanilino)methyl]phenol
CID 43678301
N-[(3-bromo-4-fluorophenyl)methyl]-3-imidazol-1-ylaniline
CID 43678377
3-imidazol-1-yl-N-(pyridin-4-ylmethyl)aniline
CID 43678338
3-imidazol-1-yl-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104756648
3-imidazol-1-yl-N-[(2-methylquinolin-6-yl)methyl]aniline
CID 166178950
4-[[3-(1,2,4-triazol-4-yl)anilino]methyl]benzene-1,2-diol
CID 43691958
3-imidazol-1-yl-N-(2-phenylethyl)aniline
CID 43678331
N-[(4-fluoro-2-methylphenyl)methyl]-3-imidazol-1-ylaniline
CID 62134903
N-[(2-bromophenyl)methyl]-3-imidazol-1-ylaniline
CID 43678363
3-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline
CID 55110075
3-imidazol-1-yl-N-[(2-methylphenyl)methyl]aniline
CID 43678312
N-[(4-chloro-3-fluorophenyl)methyl]-3-pyrrol-1-ylaniline
CID 63445705

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(3-imidazol-1-ylanilino)methyl]phenol?
The IUPAC name of 2-fluoro-4-[(3-imidazol-1-ylanilino)methyl]phenol (CID 107685401) is 2-fluoro-4-[(3-imidazol-1-ylanilino)methyl]phenol.
What is the SMILES notation for 2-fluoro-4-[(3-imidazol-1-ylanilino)methyl]phenol?
The canonical SMILES for 2-fluoro-4-[(3-imidazol-1-ylanilino)methyl]phenol is Oc1ccc(CNc2cccc(-n3ccnc3)c2)cc1F.
What is the InChIKey of 2-fluoro-4-[(3-imidazol-1-ylanilino)methyl]phenol?
The InChIKey is LWSLHUXMKIUPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c17-15-8-12(4-5-16(15)21)10-19-13-2-1-3-14(9-13)20-7-6-18-11-20/h1-9,11,19,21H,10H2.
What are the key properties of 2-fluoro-4-[(3-imidazol-1-ylanilino)methyl]phenol?
2-fluoro-4-[(3-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-4-[(3-imidazol-1-ylanilino)methyl]phenol is sourced from PubChem (CID 107685401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).