N-[(4,5-dibromofuran-2-yl)methyl]-2-(1H-imidazol-5-yl)ethanamine

C10H11Br2N3O — CID 65232025

IUPACN-[(4,5-dibromofuran-2-yl)methyl]-2-(1H-imidazol-5-yl)ethanamine
SMILESBrc1cc(CNCCc2cnc[nH]2)oc1Br
InChIInChI=1S/C10H11Br2N3O/c11-9-3-8(16-10(9)12)5-13-2-1-7-4-14-6-15-7/h3-4,6,13H,1-2,5H2,(H,14,15)
InChIKeyFINFURVXHIHGID-UHFFFAOYSA-N
MW349.03 g/mol
LogP2.86
Rot. Bonds5

About N-[(4,5-dibromofuran-2-yl)methyl]-2-(1H-imidazol-5-yl)ethanamine

N-[(4,5-dibromofuran-2-yl)methyl]-2-(1H-imidazol-5-yl)ethanamine (PubChem CID 65232025) has the molecular formula C10H11Br2N3O and a molecular weight of 349.03 g/mol. Its IUPAC name is N-[(4,5-dibromofuran-2-yl)methyl]-2-(1H-imidazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(4,5-dibromofuran-2-yl)methyl]-2-(1H-imidazol-5-yl)ethanamine
PubChem CID65232025
Molecular FormulaC10H11Br2N3O
Molecular Weight349.03 g/mol
Exact Mass346.93
IUPAC NameN-[(4,5-dibromofuran-2-yl)methyl]-2-(1H-imidazol-5-yl)ethanamine
SMILESBrc1cc(CNCCc2cnc[nH]2)oc1Br
InChIInChI=1S/C10H11Br2N3O/c11-9-3-8(16-10(9)12)5-13-2-1-7-4-14-6-15-7/h3-4,6,13H,1-2,5H2,(H,14,15)
InChIKeyFINFURVXHIHGID-UHFFFAOYSA-N
XLogP2.86
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.03
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-imidazol-5-yl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 64988267
N-[(4-bromo-2-fluorophenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine
CID 65231014
N-[(4,5-dibromofuran-2-yl)methyl]-2-(3,5-difluorophenyl)ethanamine
CID 62604246
2-(1H-imidazol-5-yl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 64988409
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine
CID 64988312
2-(1H-imidazol-5-yl)-N-(naphthalen-2-ylmethyl)ethanamine
CID 65230734
N-[(2,5-difluorophenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine
CID 65230885
2-(1H-imidazol-5-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 64988759
N-(fluoromethyl)-2-(1H-imidazol-5-yl)ethanamine;hydrochloride
CID 70625954
N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylethanamine
CID 11820597
N-[(4,5-dibromofuran-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 55202670
2-(cyclohexen-1-yl)-N-[(4,5-dibromofuran-2-yl)methyl]ethanamine
CID 55032546

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dibromofuran-2-yl)methyl]-2-(1H-imidazol-5-yl)ethanamine?
The IUPAC name of N-[(4,5-dibromofuran-2-yl)methyl]-2-(1H-imidazol-5-yl)ethanamine (CID 65232025) is N-[(4,5-dibromofuran-2-yl)methyl]-2-(1H-imidazol-5-yl)ethanamine.
What is the SMILES notation for N-[(4,5-dibromofuran-2-yl)methyl]-2-(1H-imidazol-5-yl)ethanamine?
The canonical SMILES for N-[(4,5-dibromofuran-2-yl)methyl]-2-(1H-imidazol-5-yl)ethanamine is Brc1cc(CNCCc2cnc[nH]2)oc1Br.
What is the InChIKey of N-[(4,5-dibromofuran-2-yl)methyl]-2-(1H-imidazol-5-yl)ethanamine?
The InChIKey is FINFURVXHIHGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2N3O/c11-9-3-8(16-10(9)12)5-13-2-1-7-4-14-6-15-7/h3-4,6,13H,1-2,5H2,(H,14,15).
What are the key properties of N-[(4,5-dibromofuran-2-yl)methyl]-2-(1H-imidazol-5-yl)ethanamine?
N-[(4,5-dibromofuran-2-yl)methyl]-2-(1H-imidazol-5-yl)ethanamine has a molecular weight of 349.03 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dibromofuran-2-yl)methyl]-2-(1H-imidazol-5-yl)ethanamine is sourced from PubChem (CID 65232025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).