2-bromo-5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazole

C11H9BrN2O — CID 116884325

IUPAC2-bromo-5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazole
SMILESBrc1ncc(-c2ccc3c(c2)CCO3)[nH]1
InChIInChI=1S/C11H9BrN2O/c12-11-13-6-9(14-11)7-1-2-10-8(5-7)3-4-15-10/h1-2,5-6H,3-4H2,(H,13,14)
InChIKeyOMTNRQRASDXBGT-UHFFFAOYSA-N
MW265.11 g/mol
LogP2.77
Rot. Bonds1

About 2-bromo-5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazole

2-bromo-5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazole (PubChem CID 116884325) has the molecular formula C11H9BrN2O and a molecular weight of 265.11 g/mol. Its IUPAC name is 2-bromo-5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazole.

Molecular Properties

Compound Name2-bromo-5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazole
PubChem CID116884325
Molecular FormulaC11H9BrN2O
Molecular Weight265.11 g/mol
Exact Mass263.99
IUPAC Name2-bromo-5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazole
SMILESBrc1ncc(-c2ccc3c(c2)CCO3)[nH]1
InChIInChI=1S/C11H9BrN2O/c12-11-13-6-9(14-11)7-1-2-10-8(5-7)3-4-15-10/h1-2,5-6H,3-4H2,(H,13,14)
InChIKeyOMTNRQRASDXBGT-UHFFFAOYSA-N
XLogP2.77
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-[5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-2-yl]ethanol
CID 116881709
[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]methanamine
CID 82649644
5-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1H-pyrazol-3-amine
CID 116827285
3-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]propan-1-amine
CID 116876928
3-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]propanenitrile
CID 116880179
[1-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
CID 116882118
4,5-bis(2,3-dihydro-1-benzofuran-5-yl)-1,3-dihydroimidazole-2-thione
CID 139775443
2-(2,3-dihydro-1-benzofuran-5-yl)-5-hydroxypyridine-4-carbonitrile
CID 116864630
3-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole
CID 112571955
4-bromo-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carbonitrile
CID 116859092
4-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine
CID 105371530
4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine-5-carbonitrile
CID 116865195

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazole?
The IUPAC name of 2-bromo-5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazole (CID 116884325) is 2-bromo-5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazole.
What is the SMILES notation for 2-bromo-5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazole?
The canonical SMILES for 2-bromo-5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazole is Brc1ncc(-c2ccc3c(c2)CCO3)[nH]1.
What is the InChIKey of 2-bromo-5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazole?
The InChIKey is OMTNRQRASDXBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O/c12-11-13-6-9(14-11)7-1-2-10-8(5-7)3-4-15-10/h1-2,5-6H,3-4H2,(H,13,14).
What are the key properties of 2-bromo-5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazole?
2-bromo-5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazole has a molecular weight of 265.11 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazole is sourced from PubChem (CID 116884325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).