N-[[1-(2-bromo-5-iodophenyl)imidazol-4-yl]methyl]cyclopropanamine

C13H13BrIN3 — CID 114261495

IUPACN-[[1-(2-bromo-5-iodophenyl)imidazol-4-yl]methyl]cyclopropanamine
SMILESBrc1ccc(I)cc1-n1cnc(CNC2CC2)c1
InChIInChI=1S/C13H13BrIN3/c14-12-4-1-9(15)5-13(12)18-7-11(17-8-18)6-16-10-2-3-10/h1,4-5,7-8,10,16H,2-3,6H2
InChIKeyYQPUJLYSPMDXKO-UHFFFAOYSA-N
MW418.08 g/mol
LogP3.49
Rot. Bonds4

About N-[[1-(2-bromo-5-iodophenyl)imidazol-4-yl]methyl]cyclopropanamine

N-[[1-(2-bromo-5-iodophenyl)imidazol-4-yl]methyl]cyclopropanamine (PubChem CID 114261495) has the molecular formula C13H13BrIN3 and a molecular weight of 418.08 g/mol. Its IUPAC name is N-[[1-(2-bromo-5-iodophenyl)imidazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2-bromo-5-iodophenyl)imidazol-4-yl]methyl]cyclopropanamine
PubChem CID114261495
Molecular FormulaC13H13BrIN3
Molecular Weight418.08 g/mol
Exact Mass416.93
IUPAC NameN-[[1-(2-bromo-5-iodophenyl)imidazol-4-yl]methyl]cyclopropanamine
SMILESBrc1ccc(I)cc1-n1cnc(CNC2CC2)c1
InChIInChI=1S/C13H13BrIN3/c14-12-4-1-9(15)5-13(12)18-7-11(17-8-18)6-16-10-2-3-10/h1,4-5,7-8,10,16H,2-3,6H2
InChIKeyYQPUJLYSPMDXKO-UHFFFAOYSA-N
XLogP3.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.08
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(4-bromo-3-fluorophenyl)imidazol-4-yl]methyl]cyclopropanamine
CID 114204313
N-[[1-(5-bromo-3-pyridinyl)imidazol-4-yl]methyl]cyclopropanamine
CID 114223441
N-[[1-(2-methoxyphenyl)imidazol-4-yl]methyl]cyclopropanamine
CID 114203962
N-[[1-(2-bromo-5-chlorophenyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 81272307
N-[[1-(2-bromo-5-fluorophenyl)triazol-4-yl]methyl]cyclopropanamine
CID 107627683
N-[[5-(2-bromo-5-iodophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 114026663
1-(2-bromo-5-iodophenyl)-N-cyclopropylpyrrolidin-3-amine
CID 114261367
2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]butanoic acid
CID 106719939
N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 106719934
N-[[1-(2-methylpropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719854
N-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719837
N-[[1-(2-bromo-4-chlorophenyl)triazol-4-yl]methyl]cyclopropanamine
CID 81271668

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-bromo-5-iodophenyl)imidazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2-bromo-5-iodophenyl)imidazol-4-yl]methyl]cyclopropanamine (CID 114261495) is N-[[1-(2-bromo-5-iodophenyl)imidazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2-bromo-5-iodophenyl)imidazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2-bromo-5-iodophenyl)imidazol-4-yl]methyl]cyclopropanamine is Brc1ccc(I)cc1-n1cnc(CNC2CC2)c1.
What is the InChIKey of N-[[1-(2-bromo-5-iodophenyl)imidazol-4-yl]methyl]cyclopropanamine?
The InChIKey is YQPUJLYSPMDXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrIN3/c14-12-4-1-9(15)5-13(12)18-7-11(17-8-18)6-16-10-2-3-10/h1,4-5,7-8,10,16H,2-3,6H2.
What are the key properties of N-[[1-(2-bromo-5-iodophenyl)imidazol-4-yl]methyl]cyclopropanamine?
N-[[1-(2-bromo-5-iodophenyl)imidazol-4-yl]methyl]cyclopropanamine has a molecular weight of 418.08 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-bromo-5-iodophenyl)imidazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114261495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).