6-bromo-2-(2-propoxyethyl)-1H-benzimidazole

C12H15BrN2O — CID 64723125

IUPAC6-bromo-2-(2-propoxyethyl)-1H-benzimidazole
SMILESCCCOCCc1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C12H15BrN2O/c1-2-6-16-7-5-12-14-10-4-3-9(13)8-11(10)15-12/h3-4,8H,2,5-7H2,1H3,(H,14,15)
InChIKeyCIAZDAMXYOWRIN-UHFFFAOYSA-N
MW283.17 g/mol
LogP3.29
Rot. Bonds5

About 6-bromo-2-(2-propoxyethyl)-1H-benzimidazole

6-bromo-2-(2-propoxyethyl)-1H-benzimidazole (PubChem CID 64723125) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 6-bromo-2-(2-propoxyethyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(2-propoxyethyl)-1H-benzimidazole
PubChem CID64723125
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name6-bromo-2-(2-propoxyethyl)-1H-benzimidazole
SMILESCCCOCCc1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C12H15BrN2O/c1-2-6-16-7-5-12-14-10-4-3-9(13)8-11(10)15-12/h3-4,8H,2,5-7H2,1H3,(H,14,15)
InChIKeyCIAZDAMXYOWRIN-UHFFFAOYSA-N
XLogP3.29
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-propoxyethyl)-1H-benzimidazole?
The IUPAC name of 6-bromo-2-(2-propoxyethyl)-1H-benzimidazole (CID 64723125) is 6-bromo-2-(2-propoxyethyl)-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-(2-propoxyethyl)-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-(2-propoxyethyl)-1H-benzimidazole is CCCOCCc1nc2ccc(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-2-(2-propoxyethyl)-1H-benzimidazole?
The InChIKey is CIAZDAMXYOWRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-2-6-16-7-5-12-14-10-4-3-9(13)8-11(10)15-12/h3-4,8H,2,5-7H2,1H3,(H,14,15).
What are the key properties of 6-bromo-2-(2-propoxyethyl)-1H-benzimidazole?
6-bromo-2-(2-propoxyethyl)-1H-benzimidazole has a molecular weight of 283.17 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-propoxyethyl)-1H-benzimidazole is sourced from PubChem (CID 64723125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).