N-[[1-(5-bromo-3-pyridinyl)imidazol-4-yl]methyl]cyclopropanamine

C12H13BrN4 — CID 114223441

IUPACN-[[1-(5-bromo-3-pyridinyl)imidazol-4-yl]methyl]cyclopropanamine
SMILESBrc1cncc(-n2cnc(CNC3CC3)c2)c1
InChIInChI=1S/C12H13BrN4/c13-9-3-12(6-14-4-9)17-7-11(16-8-17)5-15-10-1-2-10/h3-4,6-8,10,15H,1-2,5H2
InChIKeyKNHJXDOGAKVVFZ-UHFFFAOYSA-N
MW293.17 g/mol
LogP2.28
Rot. Bonds4

About N-[[1-(5-bromo-3-pyridinyl)imidazol-4-yl]methyl]cyclopropanamine

N-[[1-(5-bromo-3-pyridinyl)imidazol-4-yl]methyl]cyclopropanamine (PubChem CID 114223441) has the molecular formula C12H13BrN4 and a molecular weight of 293.17 g/mol. Its IUPAC name is N-[[1-(5-bromo-3-pyridinyl)imidazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(5-bromo-3-pyridinyl)imidazol-4-yl]methyl]cyclopropanamine
PubChem CID114223441
Molecular FormulaC12H13BrN4
Molecular Weight293.17 g/mol
Exact Mass292.03
IUPAC NameN-[[1-(5-bromo-3-pyridinyl)imidazol-4-yl]methyl]cyclopropanamine
SMILESBrc1cncc(-n2cnc(CNC3CC3)c2)c1
InChIInChI=1S/C12H13BrN4/c13-9-3-12(6-14-4-9)17-7-11(16-8-17)5-15-10-1-2-10/h3-4,6-8,10,15H,1-2,5H2
InChIKeyKNHJXDOGAKVVFZ-UHFFFAOYSA-N
XLogP2.28
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(4-bromo-3-fluorophenyl)imidazol-4-yl]methyl]cyclopropanamine
CID 114204313
N-[[1-(2-bromo-5-iodophenyl)imidazol-4-yl]methyl]cyclopropanamine
CID 114261495
N-[[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 106719982
N-[[6-[(5-bromo-3-pyridinyl)oxymethyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908393
N-[[1-[(5-bromo-3-pyridinyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 113455948
N-[[1-(2-methoxyphenyl)imidazol-4-yl]methyl]cyclopropanamine
CID 114203962
N-[[1-[(5-bromo-3-pyridinyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718876
N-[[5-bromo-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 55059221
1-(5-bromo-3-pyridinyl)-N-cyclopropylpiperidin-3-amine
CID 114223190
N-[(7-bromoimidazo[1,2-a]pyridin-2-yl)methyl]cyclopropanamine
CID 117256313
N-[[1-(2-methylpropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719854
N-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719837

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-bromo-3-pyridinyl)imidazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(5-bromo-3-pyridinyl)imidazol-4-yl]methyl]cyclopropanamine (CID 114223441) is N-[[1-(5-bromo-3-pyridinyl)imidazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(5-bromo-3-pyridinyl)imidazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(5-bromo-3-pyridinyl)imidazol-4-yl]methyl]cyclopropanamine is Brc1cncc(-n2cnc(CNC3CC3)c2)c1.
What is the InChIKey of N-[[1-(5-bromo-3-pyridinyl)imidazol-4-yl]methyl]cyclopropanamine?
The InChIKey is KNHJXDOGAKVVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4/c13-9-3-12(6-14-4-9)17-7-11(16-8-17)5-15-10-1-2-10/h3-4,6-8,10,15H,1-2,5H2.
What are the key properties of N-[[1-(5-bromo-3-pyridinyl)imidazol-4-yl]methyl]cyclopropanamine?
N-[[1-(5-bromo-3-pyridinyl)imidazol-4-yl]methyl]cyclopropanamine has a molecular weight of 293.17 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-bromo-3-pyridinyl)imidazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114223441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).