N-(4-bromo-2,6-difluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine

C14H16BrF2N3O — CID 106574062

IUPACN-(4-bromo-2,6-difluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
SMILESCOCC(C)n1cc(C)nc1Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C14H16BrF2N3O/c1-8-6-20(9(2)7-21-3)14(18-8)19-13-11(16)4-10(15)5-12(13)17/h4-6,9H,7H2,1-3H3,(H,18,19)
InChIKeyJBSCAZGNCCWTBZ-UHFFFAOYSA-N
MW360.20 g/mol
LogP4.18
Rot. Bonds5

About N-(4-bromo-2,6-difluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine

N-(4-bromo-2,6-difluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine (PubChem CID 106574062) has the molecular formula C14H16BrF2N3O and a molecular weight of 360.20 g/mol. Its IUPAC name is N-(4-bromo-2,6-difluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(4-bromo-2,6-difluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
PubChem CID106574062
Molecular FormulaC14H16BrF2N3O
Molecular Weight360.20 g/mol
Exact Mass359.04
IUPAC NameN-(4-bromo-2,6-difluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
SMILESCOCC(C)n1cc(C)nc1Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C14H16BrF2N3O/c1-8-6-20(9(2)7-21-3)14(18-8)19-13-11(16)4-10(15)5-12(13)17/h4-6,9H,7H2,1-3H3,(H,18,19)
InChIKeyJBSCAZGNCCWTBZ-UHFFFAOYSA-N
XLogP4.18
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 54.18
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-(4-bromo-2,6-difluorophenyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106574060
N-(3-bromo-5-methoxyphenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106579325
N-(3,5-difluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106559723
N-(2-chloro-6-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106582325
N-(2-bromo-5-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 107628417
N-(4-fluoro-3-methoxyphenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106583313
N-(4-bromo-2,6-difluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106574063
N-(2-ethyl-6-methylphenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106555375
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-(3-chloro-2-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106560747

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-difluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
The IUPAC name of N-(4-bromo-2,6-difluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine (CID 106574062) is N-(4-bromo-2,6-difluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine.
What is the SMILES notation for N-(4-bromo-2,6-difluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
The canonical SMILES for N-(4-bromo-2,6-difluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine is COCC(C)n1cc(C)nc1Nc1c(F)cc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2,6-difluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
The InChIKey is JBSCAZGNCCWTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrF2N3O/c1-8-6-20(9(2)7-21-3)14(18-8)19-13-11(16)4-10(15)5-12(13)17/h4-6,9H,7H2,1-3H3,(H,18,19).
What are the key properties of N-(4-bromo-2,6-difluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
N-(4-bromo-2,6-difluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine has a molecular weight of 360.20 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-difluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106574062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).