N-(2-bromo-5-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine

C14H17BrFN3O — CID 107628417

IUPACN-(2-bromo-5-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
SMILESCOCC(C)n1cc(C)nc1Nc1cc(F)ccc1Br
InChIInChI=1S/C14H17BrFN3O/c1-9-7-19(10(2)8-20-3)14(17-9)18-13-6-11(16)4-5-12(13)15/h4-7,10H,8H2,1-3H3,(H,17,18)
InChIKeyLMNPVKFVHQVENI-UHFFFAOYSA-N
MW342.21 g/mol
LogP4.04
Rot. Bonds5

About N-(2-bromo-5-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine

N-(2-bromo-5-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine (PubChem CID 107628417) has the molecular formula C14H17BrFN3O and a molecular weight of 342.21 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
PubChem CID107628417
Molecular FormulaC14H17BrFN3O
Molecular Weight342.21 g/mol
Exact Mass341.05
IUPAC NameN-(2-bromo-5-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
SMILESCOCC(C)n1cc(C)nc1Nc1cc(F)ccc1Br
InChIInChI=1S/C14H17BrFN3O/c1-9-7-19(10(2)8-20-3)14(17-9)18-13-6-11(16)4-5-12(13)15/h4-7,10H,8H2,1-3H3,(H,17,18)
InChIKeyLMNPVKFVHQVENI-UHFFFAOYSA-N
XLogP4.04
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.21
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-5-fluoro-2-methylphenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106582279
N-(3,5-difluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106559723
N-(4-bromo-2,6-difluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106574062
N-(3-chloro-2-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106560747
N-(4-fluoro-3-methoxyphenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106583313
N-(3-bromo-5-methoxyphenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106579325
N-(4-fluoro-2-methoxyphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine
CID 106566444
N-(2,5-dibromophenyl)-4-methyl-1-propan-2-ylimidazol-2-amine
CID 106566391
N-(2-chloro-6-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106582325
1-(1-methoxypropan-2-yl)-4-methyl-N-(2-methylpyrazol-3-yl)imidazol-2-amine
CID 106565839
1-(1-methoxypropan-2-yl)-4-methyl-N-(3-methylbutan-2-yl)imidazol-2-amine
CID 106554321
N-[1-(2-fluorophenyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106564571

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine (CID 107628417) is N-(2-bromo-5-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine is COCC(C)n1cc(C)nc1Nc1cc(F)ccc1Br.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
The InChIKey is LMNPVKFVHQVENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFN3O/c1-9-7-19(10(2)8-20-3)14(17-9)18-13-6-11(16)4-5-12(13)15/h4-7,10H,8H2,1-3H3,(H,17,18).
What are the key properties of N-(2-bromo-5-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
N-(2-bromo-5-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine has a molecular weight of 342.21 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine is sourced from PubChem (CID 107628417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).