N-(4-bromo-5-fluoro-2-methylphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine

C14H17BrFN3 — CID 106582300

IUPACN-(4-bromo-5-fluoro-2-methylphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine
SMILESCc1cn(C(C)C)c(Nc2cc(F)c(Br)cc2C)n1
InChIInChI=1S/C14H17BrFN3/c1-8(2)19-7-10(4)17-14(19)18-13-6-12(16)11(15)5-9(13)3/h5-8H,1-4H3,(H,17,18)
InChIKeyHCGFLMYTEITADE-UHFFFAOYSA-N
MW326.21 g/mol
LogP4.73
Rot. Bonds3

About N-(4-bromo-5-fluoro-2-methylphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine

N-(4-bromo-5-fluoro-2-methylphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine (PubChem CID 106582300) has the molecular formula C14H17BrFN3 and a molecular weight of 326.21 g/mol. Its IUPAC name is N-(4-bromo-5-fluoro-2-methylphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound NameN-(4-bromo-5-fluoro-2-methylphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine
PubChem CID106582300
Molecular FormulaC14H17BrFN3
Molecular Weight326.21 g/mol
Exact Mass325.06
IUPAC NameN-(4-bromo-5-fluoro-2-methylphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine
SMILESCc1cn(C(C)C)c(Nc2cc(F)c(Br)cc2C)n1
InChIInChI=1S/C14H17BrFN3/c1-8(2)19-7-10(4)17-14(19)18-13-6-12(16)11(15)5-9(13)3/h5-8H,1-4H3,(H,17,18)
InChIKeyHCGFLMYTEITADE-UHFFFAOYSA-N
XLogP4.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-(2,5-dibromophenyl)-4-methyl-1-propan-2-ylimidazol-2-amine
CID 106566391
N-(2-bromo-6-fluorophenyl)-4-methyl-1-propan-2-ylimidazol-2-amine
CID 107605144
N-(3-fluoro-4-methylphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine
CID 106559433
N-(4-bromo-5-fluoro-2-methylphenyl)-1-methylimidazol-2-amine
CID 106582320
N-(4-fluoro-2-methoxyphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine
CID 106566444
N-(4-bromo-2,5-difluorophenyl)-1-cyclopentyl-4-methylimidazol-2-amine
CID 107608647
N-(2-bromo-5-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 107628417
N-(4-fluoro-3-methoxyphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine
CID 106583334
N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1-propan-2-ylimidazol-2-amine
CID 106563756
(4S)-N-(4-bromo-5-fluoro-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 114985894
2-(4-bromo-5-fluoro-2-methylanilino)-6-methylpyridine-4-carbonitrile
CID 114766691

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-5-fluoro-2-methylphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine?
The IUPAC name of N-(4-bromo-5-fluoro-2-methylphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine (CID 106582300) is N-(4-bromo-5-fluoro-2-methylphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine.
What is the SMILES notation for N-(4-bromo-5-fluoro-2-methylphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine?
The canonical SMILES for N-(4-bromo-5-fluoro-2-methylphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine is Cc1cn(C(C)C)c(Nc2cc(F)c(Br)cc2C)n1.
What is the InChIKey of N-(4-bromo-5-fluoro-2-methylphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine?
The InChIKey is HCGFLMYTEITADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFN3/c1-8(2)19-7-10(4)17-14(19)18-13-6-12(16)11(15)5-9(13)3/h5-8H,1-4H3,(H,17,18).
What are the key properties of N-(4-bromo-5-fluoro-2-methylphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine?
N-(4-bromo-5-fluoro-2-methylphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine has a molecular weight of 326.21 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-5-fluoro-2-methylphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106582300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).