1-(2-fluorophenyl)-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine

C13H14FN5 — CID 79521547

IUPAC1-(2-fluorophenyl)-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine
SMILESCn1cncc1C1CN=C(N)N1c1ccccc1F
InChIInChI=1S/C13H14FN5/c1-18-8-16-6-11(18)12-7-17-13(15)19(12)10-5-3-2-4-9(10)14/h2-6,8,12H,7H2,1H3,(H2,15,17)
InChIKeyAKPQZPRKCQLZPL-UHFFFAOYSA-N
MW259.29 g/mol
LogP1.44
Rot. Bonds2

About 1-(2-fluorophenyl)-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine

1-(2-fluorophenyl)-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine (PubChem CID 79521547) has the molecular formula C13H14FN5 and a molecular weight of 259.29 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine
PubChem CID79521547
Molecular FormulaC13H14FN5
Molecular Weight259.29 g/mol
Exact Mass259.12
IUPAC Name1-(2-fluorophenyl)-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine
SMILESCn1cncc1C1CN=C(N)N1c1ccccc1F
InChIInChI=1S/C13H14FN5/c1-18-8-16-6-11(18)12-7-17-13(15)19(12)10-5-3-2-4-9(10)14/h2-6,8,12H,7H2,1H3,(H2,15,17)
InChIKeyAKPQZPRKCQLZPL-UHFFFAOYSA-N
XLogP1.44
TPSA59.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-(2-fluorophenyl)-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine (CID 79521547) is 1-(2-fluorophenyl)-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine is Cn1cncc1C1CN=C(N)N1c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine?
The InChIKey is AKPQZPRKCQLZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5/c1-18-8-16-6-11(18)12-7-17-13(15)19(12)10-5-3-2-4-9(10)14/h2-6,8,12H,7H2,1H3,(H2,15,17).
What are the key properties of 1-(2-fluorophenyl)-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine?
1-(2-fluorophenyl)-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine has a molecular weight of 259.29 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79521547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).