2-[3-(5-bromo-4-fluoro-2-methylphenyl)imidazol-4-yl]-N-methylpropan-2-amine

C14H17BrFN3 — CID 107590634

IUPAC2-[3-(5-bromo-4-fluoro-2-methylphenyl)imidazol-4-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1cncn1-c1cc(Br)c(F)cc1C
InChIInChI=1S/C14H17BrFN3/c1-9-5-11(16)10(15)6-12(9)19-8-18-7-13(19)14(2,3)17-4/h5-8,17H,1-4H3
InChIKeyUWUWUTZLDNBISA-UHFFFAOYSA-N
MW326.21 g/mol
LogP3.54
Rot. Bonds3

About 2-[3-(5-bromo-4-fluoro-2-methylphenyl)imidazol-4-yl]-N-methylpropan-2-amine

2-[3-(5-bromo-4-fluoro-2-methylphenyl)imidazol-4-yl]-N-methylpropan-2-amine (PubChem CID 107590634) has the molecular formula C14H17BrFN3 and a molecular weight of 326.21 g/mol. Its IUPAC name is 2-[3-(5-bromo-4-fluoro-2-methylphenyl)imidazol-4-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-[3-(5-bromo-4-fluoro-2-methylphenyl)imidazol-4-yl]-N-methylpropan-2-amine
PubChem CID107590634
Molecular FormulaC14H17BrFN3
Molecular Weight326.21 g/mol
Exact Mass325.06
IUPAC Name2-[3-(5-bromo-4-fluoro-2-methylphenyl)imidazol-4-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1cncn1-c1cc(Br)c(F)cc1C
InChIInChI=1S/C14H17BrFN3/c1-9-5-11(16)10(15)6-12(9)19-8-18-7-13(19)14(2,3)17-4/h5-8,17H,1-4H3
InChIKeyUWUWUTZLDNBISA-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[3-(2,4,5-trifluorophenyl)imidazol-4-yl]propan-2-amine
CID 114708258
2-[3-(2,5-dibromophenyl)imidazol-4-yl]-N-methylpropan-2-amine
CID 114708174
2-[3-(2-chloro-5-fluorophenyl)imidazol-4-yl]-N-methylpropan-2-amine
CID 107531998
2-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]-N-methylpropan-2-amine
CID 114708321
1-(5-bromo-4-fluoro-2-methylphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole
CID 107590631
1-(5-bromo-4-fluoro-2-methylphenyl)-N-butylimidazol-2-amine
CID 107590771
2-[3-[1-(3-fluoro-4-methylphenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine
CID 114708364
2-[3-(3-bromo-4-fluorophenyl)imidazol-4-yl]propan-2-amine
CID 114707634
4-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzene-1,2-dicarbonitrile
CID 107795786
1-(5-bromo-4-fluoro-2-methylphenyl)-2,5-dimethylpyrrole
CID 107592754
3-(5-bromo-4-fluoro-2-methylphenyl)-1H-imidazol-2-one
CID 107590496
1-(5-bromo-4-fluoro-2-methylphenyl)-N-cyclopropylimidazol-2-amine
CID 107590742

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-bromo-4-fluoro-2-methylphenyl)imidazol-4-yl]-N-methylpropan-2-amine?
The IUPAC name of 2-[3-(5-bromo-4-fluoro-2-methylphenyl)imidazol-4-yl]-N-methylpropan-2-amine (CID 107590634) is 2-[3-(5-bromo-4-fluoro-2-methylphenyl)imidazol-4-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 2-[3-(5-bromo-4-fluoro-2-methylphenyl)imidazol-4-yl]-N-methylpropan-2-amine?
The canonical SMILES for 2-[3-(5-bromo-4-fluoro-2-methylphenyl)imidazol-4-yl]-N-methylpropan-2-amine is CNC(C)(C)c1cncn1-c1cc(Br)c(F)cc1C.
What is the InChIKey of 2-[3-(5-bromo-4-fluoro-2-methylphenyl)imidazol-4-yl]-N-methylpropan-2-amine?
The InChIKey is UWUWUTZLDNBISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFN3/c1-9-5-11(16)10(15)6-12(9)19-8-18-7-13(19)14(2,3)17-4/h5-8,17H,1-4H3.
What are the key properties of 2-[3-(5-bromo-4-fluoro-2-methylphenyl)imidazol-4-yl]-N-methylpropan-2-amine?
2-[3-(5-bromo-4-fluoro-2-methylphenyl)imidazol-4-yl]-N-methylpropan-2-amine has a molecular weight of 326.21 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-bromo-4-fluoro-2-methylphenyl)imidazol-4-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 107590634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).