4-(2-amino-3-methyl-4,5-dihydroimidazol-4-yl)-2-fluorophenol

C10H12FN3O — CID 107693862

IUPAC4-(2-amino-3-methyl-4,5-dihydroimidazol-4-yl)-2-fluorophenol
SMILESCN1C(N)=NCC1c1ccc(O)c(F)c1
InChIInChI=1S/C10H12FN3O/c1-14-8(5-13-10(14)12)6-2-3-9(15)7(11)4-6/h2-4,8,15H,5H2,1H3,(H2,12,13)
InChIKeyVQWACCFWFJEIMV-UHFFFAOYSA-N
MW209.22 g/mol
LogP0.83
Rot. Bonds1

About 4-(2-amino-3-methyl-4,5-dihydroimidazol-4-yl)-2-fluorophenol

4-(2-amino-3-methyl-4,5-dihydroimidazol-4-yl)-2-fluorophenol (PubChem CID 107693862) has the molecular formula C10H12FN3O and a molecular weight of 209.22 g/mol. Its IUPAC name is 4-(2-amino-3-methyl-4,5-dihydroimidazol-4-yl)-2-fluorophenol.

Molecular Properties

Compound Name4-(2-amino-3-methyl-4,5-dihydroimidazol-4-yl)-2-fluorophenol
PubChem CID107693862
Molecular FormulaC10H12FN3O
Molecular Weight209.22 g/mol
Exact Mass209.10
IUPAC Name4-(2-amino-3-methyl-4,5-dihydroimidazol-4-yl)-2-fluorophenol
SMILESCN1C(N)=NCC1c1ccc(O)c(F)c1
InChIInChI=1S/C10H12FN3O/c1-14-8(5-13-10(14)12)6-2-3-9(15)7(11)4-6/h2-4,8,15H,5H2,1H3,(H2,12,13)
InChIKeyVQWACCFWFJEIMV-UHFFFAOYSA-N
XLogP0.83
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-amino-3-cyclopropyl-4,5-dihydroimidazol-4-yl)-2-fluorophenol
CID 107693865
5-(4-fluorophenyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 79510699
5-(3-bromo-4-chlorophenyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 83241409
5-(5-chloro-2-fluorophenyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 114867691
1-methyl-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine
CID 79509586
5-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 79509261
5-(2,3-difluorophenyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 79510039
5-(3,4-difluorophenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine
CID 79504700
5-(3,4-difluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine
CID 79500344
1-(4-chlorophenyl)-5-(3-fluoro-4-methylphenyl)-4,5-dihydroimidazol-2-amine
CID 79501134
5-(4-chloro-3-fluorophenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine
CID 79520794
5-(3-chloro-2-fluorophenyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 114489420

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-methyl-4,5-dihydroimidazol-4-yl)-2-fluorophenol?
The IUPAC name of 4-(2-amino-3-methyl-4,5-dihydroimidazol-4-yl)-2-fluorophenol (CID 107693862) is 4-(2-amino-3-methyl-4,5-dihydroimidazol-4-yl)-2-fluorophenol.
What is the SMILES notation for 4-(2-amino-3-methyl-4,5-dihydroimidazol-4-yl)-2-fluorophenol?
The canonical SMILES for 4-(2-amino-3-methyl-4,5-dihydroimidazol-4-yl)-2-fluorophenol is CN1C(N)=NCC1c1ccc(O)c(F)c1.
What is the InChIKey of 4-(2-amino-3-methyl-4,5-dihydroimidazol-4-yl)-2-fluorophenol?
The InChIKey is VQWACCFWFJEIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O/c1-14-8(5-13-10(14)12)6-2-3-9(15)7(11)4-6/h2-4,8,15H,5H2,1H3,(H2,12,13).
What are the key properties of 4-(2-amino-3-methyl-4,5-dihydroimidazol-4-yl)-2-fluorophenol?
4-(2-amino-3-methyl-4,5-dihydroimidazol-4-yl)-2-fluorophenol has a molecular weight of 209.22 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-methyl-4,5-dihydroimidazol-4-yl)-2-fluorophenol is sourced from PubChem (CID 107693862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).