4-bromo-3-(5-methylfuran-2-yl)-1H-benzimidazol-2-one

C12H9BrN2O2 — CID 117208956

IUPAC4-bromo-3-(5-methylfuran-2-yl)-1H-benzimidazol-2-one
SMILESCc1ccc(-n2c(=O)[nH]c3cccc(Br)c32)o1
InChIInChI=1S/C12H9BrN2O2/c1-7-5-6-10(17-7)15-11-8(13)3-2-4-9(11)14-12(15)16/h2-6H,1H3,(H,14,16)
InChIKeyZIZFZYDNTKGQLK-UHFFFAOYSA-N
MW293.12 g/mol
LogP2.98
Rot. Bonds1

About 4-bromo-3-(5-methylfuran-2-yl)-1H-benzimidazol-2-one

4-bromo-3-(5-methylfuran-2-yl)-1H-benzimidazol-2-one (PubChem CID 117208956) has the molecular formula C12H9BrN2O2 and a molecular weight of 293.12 g/mol. Its IUPAC name is 4-bromo-3-(5-methylfuran-2-yl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name4-bromo-3-(5-methylfuran-2-yl)-1H-benzimidazol-2-one
PubChem CID117208956
Molecular FormulaC12H9BrN2O2
Molecular Weight293.12 g/mol
Exact Mass291.98
IUPAC Name4-bromo-3-(5-methylfuran-2-yl)-1H-benzimidazol-2-one
SMILESCc1ccc(-n2c(=O)[nH]c3cccc(Br)c32)o1
InChIInChI=1S/C12H9BrN2O2/c1-7-5-6-10(17-7)15-11-8(13)3-2-4-9(11)14-12(15)16/h2-6H,1H3,(H,14,16)
InChIKeyZIZFZYDNTKGQLK-UHFFFAOYSA-N
XLogP2.98
TPSA50.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.12
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(5-methylfuran-2-yl)-1H-benzimidazol-2-one?
The IUPAC name of 4-bromo-3-(5-methylfuran-2-yl)-1H-benzimidazol-2-one (CID 117208956) is 4-bromo-3-(5-methylfuran-2-yl)-1H-benzimidazol-2-one.
What is the SMILES notation for 4-bromo-3-(5-methylfuran-2-yl)-1H-benzimidazol-2-one?
The canonical SMILES for 4-bromo-3-(5-methylfuran-2-yl)-1H-benzimidazol-2-one is Cc1ccc(-n2c(=O)[nH]c3cccc(Br)c32)o1.
What is the InChIKey of 4-bromo-3-(5-methylfuran-2-yl)-1H-benzimidazol-2-one?
The InChIKey is ZIZFZYDNTKGQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O2/c1-7-5-6-10(17-7)15-11-8(13)3-2-4-9(11)14-12(15)16/h2-6H,1H3,(H,14,16).
What are the key properties of 4-bromo-3-(5-methylfuran-2-yl)-1H-benzimidazol-2-one?
4-bromo-3-(5-methylfuran-2-yl)-1H-benzimidazol-2-one has a molecular weight of 293.12 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(5-methylfuran-2-yl)-1H-benzimidazol-2-one is sourced from PubChem (CID 117208956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).