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

C15H19BrFN3O — CID 106582279

IUPACN-(4-bromo-5-fluoro-2-methylphenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
SMILESCOCC(C)n1cc(C)nc1Nc1cc(F)c(Br)cc1C
InChIInChI=1S/C15H19BrFN3O/c1-9-5-12(16)13(17)6-14(9)19-15-18-10(2)7-20(15)11(3)8-21-4/h5-7,11H,8H2,1-4H3,(H,18,19)
InChIKeyDYDLGMJDLDNQCD-UHFFFAOYSA-N
MW356.24 g/mol
LogP4.35
Rot. Bonds5

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

N-(4-bromo-5-fluoro-2-methylphenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine (PubChem CID 106582279) has the molecular formula C15H19BrFN3O and a molecular weight of 356.24 g/mol. Its IUPAC name is N-(4-bromo-5-fluoro-2-methylphenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(4-bromo-5-fluoro-2-methylphenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
PubChem CID106582279
Molecular FormulaC15H19BrFN3O
Molecular Weight356.24 g/mol
Exact Mass355.07
IUPAC NameN-(4-bromo-5-fluoro-2-methylphenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
SMILESCOCC(C)n1cc(C)nc1Nc1cc(F)c(Br)cc1C
InChIInChI=1S/C15H19BrFN3O/c1-9-5-12(16)13(17)6-14(9)19-15-18-10(2)7-20(15)11(3)8-21-4/h5-7,11H,8H2,1-4H3,(H,18,19)
InChIKeyDYDLGMJDLDNQCD-UHFFFAOYSA-N
XLogP4.35
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.24
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-5-fluoro-2-methylphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine
CID 106582300
N-(2-bromo-5-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 107628417
N-(4-bromo-2,6-difluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106574062
N-(3,5-difluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106559723
N-(4-fluoro-3-methoxyphenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106583313
N-(3-chloro-2-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106560747
N-(3-bromo-5-methoxyphenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106579325
N-(2-chloro-6-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106582325
1-(1-methoxypropan-2-yl)-4-methyl-N-(4-propan-2-ylphenyl)imidazol-2-amine
CID 106557337
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
N-(1-methoxy-3-methylbutan-2-yl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106575059

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-5-fluoro-2-methylphenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
The IUPAC name of N-(4-bromo-5-fluoro-2-methylphenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine (CID 106582279) is N-(4-bromo-5-fluoro-2-methylphenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine.
What is the SMILES notation for N-(4-bromo-5-fluoro-2-methylphenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
The canonical SMILES for N-(4-bromo-5-fluoro-2-methylphenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine is COCC(C)n1cc(C)nc1Nc1cc(F)c(Br)cc1C.
What is the InChIKey of N-(4-bromo-5-fluoro-2-methylphenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
The InChIKey is DYDLGMJDLDNQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFN3O/c1-9-5-12(16)13(17)6-14(9)19-15-18-10(2)7-20(15)11(3)8-21-4/h5-7,11H,8H2,1-4H3,(H,18,19).
What are the key properties of N-(4-bromo-5-fluoro-2-methylphenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
N-(4-bromo-5-fluoro-2-methylphenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine has a molecular weight of 356.24 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-5-fluoro-2-methylphenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106582279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).