1-[(5-bromo-1-benzofuran-2-yl)methyl]imidazole

C12H9BrN2O — CID 10356123

IUPAC1-[(5-bromo-1-benzofuran-2-yl)methyl]imidazole
SMILESBrc1ccc2oc(Cn3ccnc3)cc2c1
InChIInChI=1S/C12H9BrN2O/c13-10-1-2-12-9(5-10)6-11(16-12)7-15-4-3-14-8-15/h1-6,8H,7H2
InChIKeyPFJDWEADDGOJLX-UHFFFAOYSA-N
MW277.12 g/mol
LogP3.44
Rot. Bonds2

About 1-[(5-bromo-1-benzofuran-2-yl)methyl]imidazole

1-[(5-bromo-1-benzofuran-2-yl)methyl]imidazole (PubChem CID 10356123) has the molecular formula C12H9BrN2O and a molecular weight of 277.12 g/mol. Its IUPAC name is 1-[(5-bromo-1-benzofuran-2-yl)methyl]imidazole.

Molecular Properties

Compound Name1-[(5-bromo-1-benzofuran-2-yl)methyl]imidazole
PubChem CID10356123
Molecular FormulaC12H9BrN2O
Molecular Weight277.12 g/mol
Exact Mass275.99
IUPAC Name1-[(5-bromo-1-benzofuran-2-yl)methyl]imidazole
SMILESBrc1ccc2oc(Cn3ccnc3)cc2c1
InChIInChI=1S/C12H9BrN2O/c13-10-1-2-12-9(5-10)6-11(16-12)7-15-4-3-14-8-15/h1-6,8H,7H2
InChIKeyPFJDWEADDGOJLX-UHFFFAOYSA-N
XLogP3.44
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.12
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzofuran-2-yl)-1H-imidazole
CID 3073596
1H-Imidazole, 2-(2-benzofuranyl)-1-methyl-, monohydrochloride
CID 3073597
1H-Imidazole, 2-(2-benofuranyl)-1-ethyl-, monohydrochloride
CID 3073603
1H-Imidazole, 2-(5-bromo-2-benzofuranyl)-, monohydrochloride
CID 3073605
1-(benzofuran-2-yl(4-chlorophenyl)methyl)-1H-imidazole
CID 9972577
Benzofuran-2-carboxylic acid (3-imidazol-1-yl-propyl)-amide
CID 2952642
3-Bromo-2-imidazol-1-ylmethyl-benzofuran-5-carboxylic acid
CID 13663092
1-(5-Phenyl-furan-2-ylmethyl)-1H-imidazole
CID 53316510
1-(4-Bromophenyl)-2-[2-ethyl-3-[(2-phenyl-1-benzofuran-3-yl)methyl]imidazol-3-ium-1-yl]ethanone bromide
CID 71726800
1-[(2-Bromophenyl)methyl]-2-ethyl-3-[(2-phenyl-1-benzofuran-3-yl)methyl]imidazol-1-ium bromide
CID 71726804
3-[2-(5-Bromo-1-benzofuran-2-yl)-2-(3-methylimidazol-3-ium-1-yl)ethyl]quinazolin-4-one chloride
CID 155540898
1-[(5-Bromo-1-benzofuran-2-yl)-(2-chlorophenyl)methyl]imidazole
CID 10500441

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-1-benzofuran-2-yl)methyl]imidazole?
The IUPAC name of 1-[(5-bromo-1-benzofuran-2-yl)methyl]imidazole (CID 10356123) is 1-[(5-bromo-1-benzofuran-2-yl)methyl]imidazole.
What is the SMILES notation for 1-[(5-bromo-1-benzofuran-2-yl)methyl]imidazole?
The canonical SMILES for 1-[(5-bromo-1-benzofuran-2-yl)methyl]imidazole is Brc1ccc2oc(Cn3ccnc3)cc2c1.
What is the InChIKey of 1-[(5-bromo-1-benzofuran-2-yl)methyl]imidazole?
The InChIKey is PFJDWEADDGOJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O/c13-10-1-2-12-9(5-10)6-11(16-12)7-15-4-3-14-8-15/h1-6,8H,7H2.
What are the key properties of 1-[(5-bromo-1-benzofuran-2-yl)methyl]imidazole?
1-[(5-bromo-1-benzofuran-2-yl)methyl]imidazole has a molecular weight of 277.12 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-1-benzofuran-2-yl)methyl]imidazole is sourced from PubChem (CID 10356123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).