1-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine;hydrochloride

C10H13ClFN3 — CID 175067580

IUPAC1-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine;hydrochloride
SMILESCl.NC1=NCCN1Cc1ccc(F)cc1
InChIInChI=1S/C10H12FN3.ClH/c11-9-3-1-8(2-4-9)7-14-6-5-13-10(14)12;/h1-4H,5-7H2,(H2,12,13);1H
InChIKeyAHYQZZLGGJJJHE-UHFFFAOYSA-N
MW229.69 g/mol
LogP1.38
Rot. Bonds2

About 1-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine;hydrochloride

1-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine;hydrochloride (PubChem CID 175067580) has the molecular formula C10H13ClFN3 and a molecular weight of 229.69 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine;hydrochloride
PubChem CID175067580
Molecular FormulaC10H13ClFN3
Molecular Weight229.69 g/mol
Exact Mass229.08
IUPAC Name1-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine;hydrochloride
SMILESCl.NC1=NCCN1Cc1ccc(F)cc1
InChIInChI=1S/C10H12FN3.ClH/c11-9-3-1-8(2-4-9)7-14-6-5-13-10(14)12;/h1-4H,5-7H2,(H2,12,13);1H
InChIKeyAHYQZZLGGJJJHE-UHFFFAOYSA-N
XLogP1.38
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.69
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine;hydrochloride?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine;hydrochloride (CID 175067580) is 1-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine;hydrochloride.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine;hydrochloride?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine;hydrochloride is Cl.NC1=NCCN1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine;hydrochloride?
The InChIKey is AHYQZZLGGJJJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3.ClH/c11-9-3-1-8(2-4-9)7-14-6-5-13-10(14)12;/h1-4H,5-7H2,(H2,12,13);1H.
What are the key properties of 1-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine;hydrochloride?
1-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine;hydrochloride has a molecular weight of 229.69 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine;hydrochloride is sourced from PubChem (CID 175067580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).