2-[4-[(3-fluoro-4-methoxyphenyl)methyl]phenyl]-4,5-dihydroimidazol-1-amine;hydrochloride

C17H19ClFN3O — CID 159027585

IUPAC2-[4-[(3-fluoro-4-methoxyphenyl)methyl]phenyl]-4,5-dihydroimidazol-1-amine;hydrochloride
SMILESCOc1ccc(Cc2ccc(C3=NCCN3N)cc2)cc1F.Cl
InChIInChI=1S/C17H18FN3O.ClH/c1-22-16-7-4-13(11-15(16)18)10-12-2-5-14(6-3-12)17-20-8-9-21(17)19;/h2-7,11H,8-10,19H2,1H3;1H
InChIKeyJULXESDLRCMDML-UHFFFAOYSA-N
MW335.81 g/mol
LogP2.78
Rot. Bonds4

About 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]phenyl]-4,5-dihydroimidazol-1-amine;hydrochloride

2-[4-[(3-fluoro-4-methoxyphenyl)methyl]phenyl]-4,5-dihydroimidazol-1-amine;hydrochloride (PubChem CID 159027585) has the molecular formula C17H19ClFN3O and a molecular weight of 335.81 g/mol. Its IUPAC name is 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]phenyl]-4,5-dihydroimidazol-1-amine;hydrochloride.

Molecular Properties

Compound Name2-[4-[(3-fluoro-4-methoxyphenyl)methyl]phenyl]-4,5-dihydroimidazol-1-amine;hydrochloride
PubChem CID159027585
Molecular FormulaC17H19ClFN3O
Molecular Weight335.81 g/mol
Exact Mass335.12
IUPAC Name2-[4-[(3-fluoro-4-methoxyphenyl)methyl]phenyl]-4,5-dihydroimidazol-1-amine;hydrochloride
SMILESCOc1ccc(Cc2ccc(C3=NCCN3N)cc2)cc1F.Cl
InChIInChI=1S/C17H18FN3O.ClH/c1-22-16-7-4-13(11-15(16)18)10-12-2-5-14(6-3-12)17-20-8-9-21(17)19;/h2-7,11H,8-10,19H2,1H3;1H
InChIKeyJULXESDLRCMDML-UHFFFAOYSA-N
XLogP2.78
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970093
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970919
2-[(3-fluoro-4-methoxyphenyl)methyl]naphthalene
CID 132602819
2-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dihydropyrazol-5-amine
CID 20511335
2-(3-fluoro-4-methoxyphenyl)acetaldehyde
CID 62796139
3-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-amine
CID 43251327
3-[(3-fluoro-4-methoxyphenyl)methyl]-5-methyl-1H-pyrazole-4-carbaldehyde
CID 82086758
4-[3-[(3-fluoro-4-methoxyphenyl)methyl]-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide
CID 174394333
(3R)-1-[(3-fluoro-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine
CID 97314808
1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol
CID 24904753
2-(3-fluoro-4-methoxyphenyl)-1-pyridazin-4-ylethanamine
CID 105122196
[1-amino-2-(3-fluoro-4-methoxyphenyl)ethylidene]azanium
CID 6347254

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]phenyl]-4,5-dihydroimidazol-1-amine;hydrochloride?
The IUPAC name of 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]phenyl]-4,5-dihydroimidazol-1-amine;hydrochloride (CID 159027585) is 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]phenyl]-4,5-dihydroimidazol-1-amine;hydrochloride.
What is the SMILES notation for 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]phenyl]-4,5-dihydroimidazol-1-amine;hydrochloride?
The canonical SMILES for 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]phenyl]-4,5-dihydroimidazol-1-amine;hydrochloride is COc1ccc(Cc2ccc(C3=NCCN3N)cc2)cc1F.Cl.
What is the InChIKey of 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]phenyl]-4,5-dihydroimidazol-1-amine;hydrochloride?
The InChIKey is JULXESDLRCMDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O.ClH/c1-22-16-7-4-13(11-15(16)18)10-12-2-5-14(6-3-12)17-20-8-9-21(17)19;/h2-7,11H,8-10,19H2,1H3;1H.
What are the key properties of 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]phenyl]-4,5-dihydroimidazol-1-amine;hydrochloride?
2-[4-[(3-fluoro-4-methoxyphenyl)methyl]phenyl]-4,5-dihydroimidazol-1-amine;hydrochloride has a molecular weight of 335.81 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]phenyl]-4,5-dihydroimidazol-1-amine;hydrochloride is sourced from PubChem (CID 159027585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).