N-[(4-bromo-3-fluorophenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

C11H14BrFIN3 — CID 120970582

IUPACN-[(4-bromo-3-fluorophenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1NCc1ccc(Br)c(F)c1.I
InChIInChI=1S/C11H13BrFN3.HI/c1-16-5-4-14-11(16)15-7-8-2-3-9(12)10(13)6-8;/h2-3,6H,4-5,7H2,1H3,(H,14,15);1H
InChIKeyXHVMHDBSYFZZFC-UHFFFAOYSA-N
MW414.06 g/mol
LogP2.60
Rot. Bonds2

About N-[(4-bromo-3-fluorophenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

N-[(4-bromo-3-fluorophenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120970582) has the molecular formula C11H14BrFIN3 and a molecular weight of 414.06 g/mol. Its IUPAC name is N-[(4-bromo-3-fluorophenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[(4-bromo-3-fluorophenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120970582
Molecular FormulaC11H14BrFIN3
Molecular Weight414.06 g/mol
Exact Mass412.94
IUPAC NameN-[(4-bromo-3-fluorophenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1NCc1ccc(Br)c(F)c1.I
InChIInChI=1S/C11H13BrFN3.HI/c1-16-5-4-14-11(16)15-7-8-2-3-9(12)10(13)6-8;/h2-3,6H,4-5,7H2,1H3,(H,14,15);1H
InChIKeyXHVMHDBSYFZZFC-UHFFFAOYSA-N
XLogP2.60
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.06
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970093
1-methyl-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydrobromide
CID 166193259
2-fluoro-4-[[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)amino]methyl]benzonitrile
CID 122098141
1-methyl-N-[(4-propan-2-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969753
N-[(2-bromo-5-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970232
1-methyl-N-[[3-(methylsulfanylmethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120972308
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970919
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969741
N-[(4-ethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969673
N-[(2-bromo-5-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970233
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969603
1-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine
CID 120969999

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120970582) is N-[(4-bromo-3-fluorophenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for N-[(4-bromo-3-fluorophenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for N-[(4-bromo-3-fluorophenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is CN1CCN=C1NCc1ccc(Br)c(F)c1.I.
What is the InChIKey of N-[(4-bromo-3-fluorophenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is XHVMHDBSYFZZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFN3.HI/c1-16-5-4-14-11(16)15-7-8-2-3-9(12)10(13)6-8;/h2-3,6H,4-5,7H2,1H3,(H,14,15);1H.
What are the key properties of N-[(4-bromo-3-fluorophenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
N-[(4-bromo-3-fluorophenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 414.06 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-fluorophenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120970582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).