N-[[1-(4-bromo-3-fluorophenyl)imidazol-4-yl]methyl]cyclopropanamine

C13H13BrFN3 — CID 114204313

IUPACN-[[1-(4-bromo-3-fluorophenyl)imidazol-4-yl]methyl]cyclopropanamine
SMILESFc1cc(-n2cnc(CNC3CC3)c2)ccc1Br
InChIInChI=1S/C13H13BrFN3/c14-12-4-3-11(5-13(12)15)18-7-10(17-8-18)6-16-9-1-2-9/h3-5,7-9,16H,1-2,6H2
InChIKeyIMPREEYAWCHMKO-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.03
Rot. Bonds4

About N-[[1-(4-bromo-3-fluorophenyl)imidazol-4-yl]methyl]cyclopropanamine

N-[[1-(4-bromo-3-fluorophenyl)imidazol-4-yl]methyl]cyclopropanamine (PubChem CID 114204313) has the molecular formula C13H13BrFN3 and a molecular weight of 310.17 g/mol. Its IUPAC name is N-[[1-(4-bromo-3-fluorophenyl)imidazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(4-bromo-3-fluorophenyl)imidazol-4-yl]methyl]cyclopropanamine
PubChem CID114204313
Molecular FormulaC13H13BrFN3
Molecular Weight310.17 g/mol
Exact Mass309.03
IUPAC NameN-[[1-(4-bromo-3-fluorophenyl)imidazol-4-yl]methyl]cyclopropanamine
SMILESFc1cc(-n2cnc(CNC3CC3)c2)ccc1Br
InChIInChI=1S/C13H13BrFN3/c14-12-4-3-11(5-13(12)15)18-7-10(17-8-18)6-16-9-1-2-9/h3-5,7-9,16H,1-2,6H2
InChIKeyIMPREEYAWCHMKO-UHFFFAOYSA-N
XLogP3.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-bromo-5-iodophenyl)imidazol-4-yl]methyl]cyclopropanamine
CID 114261495
N-[[1-(5-bromo-3-pyridinyl)imidazol-4-yl]methyl]cyclopropanamine
CID 114223441
N-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719837
N-[[1-(2-bromo-5-fluorophenyl)triazol-4-yl]methyl]cyclopropanamine
CID 107627683
N-[[1-(2-methoxyphenyl)imidazol-4-yl]methyl]cyclopropanamine
CID 114203962
N-[[5-(4-bromo-3-fluorophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79146129
N-[[1-(2-bromo-5-chlorophenyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 81272307
N-[2-(4-bromo-3-fluorophenoxy)ethyl]cyclopropanamine
CID 65201328
N-[[2-(4-bromo-3-fluorophenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 65201430
N-[[1-(2,4,6-trifluorophenyl)triazol-4-yl]methyl]cyclopropanamine
CID 66205709
N-[[6-(4-bromo-3-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]cyclopropanamine
CID 65201433
1-(4-bromo-3-fluorophenyl)-N-propylpiperidin-3-amine
CID 65437234

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-bromo-3-fluorophenyl)imidazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(4-bromo-3-fluorophenyl)imidazol-4-yl]methyl]cyclopropanamine (CID 114204313) is N-[[1-(4-bromo-3-fluorophenyl)imidazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(4-bromo-3-fluorophenyl)imidazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(4-bromo-3-fluorophenyl)imidazol-4-yl]methyl]cyclopropanamine is Fc1cc(-n2cnc(CNC3CC3)c2)ccc1Br.
What is the InChIKey of N-[[1-(4-bromo-3-fluorophenyl)imidazol-4-yl]methyl]cyclopropanamine?
The InChIKey is IMPREEYAWCHMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3/c14-12-4-3-11(5-13(12)15)18-7-10(17-8-18)6-16-9-1-2-9/h3-5,7-9,16H,1-2,6H2.
What are the key properties of N-[[1-(4-bromo-3-fluorophenyl)imidazol-4-yl]methyl]cyclopropanamine?
N-[[1-(4-bromo-3-fluorophenyl)imidazol-4-yl]methyl]cyclopropanamine has a molecular weight of 310.17 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-bromo-3-fluorophenyl)imidazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114204313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).