6-bromo-2-[(E)-2-phenylethenyl]-1H-benzimidazole

C15H11BrN2 — CID 15310843

IUPAC6-bromo-2-[(E)-2-phenylethenyl]-1H-benzimidazole
SMILESBrc1ccc2nc(/C=C/c3ccccc3)[nH]c2c1
InChIInChI=1S/C15H11BrN2/c16-12-7-8-13-14(10-12)18-15(17-13)9-6-11-4-2-1-3-5-11/h1-10H,(H,17,18)/b9-6+
InChIKeyBPFGIDLJLIKONJ-RMKNXTFCSA-N
MW299.17 g/mol
LogP4.50
Rot. Bonds2

About 6-bromo-2-[(E)-2-phenylethenyl]-1H-benzimidazole

6-bromo-2-[(E)-2-phenylethenyl]-1H-benzimidazole (PubChem CID 15310843) has the molecular formula C15H11BrN2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 6-bromo-2-[(E)-2-phenylethenyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-[(E)-2-phenylethenyl]-1H-benzimidazole
PubChem CID15310843
Molecular FormulaC15H11BrN2
Molecular Weight299.17 g/mol
Exact Mass298.01
IUPAC Name6-bromo-2-[(E)-2-phenylethenyl]-1H-benzimidazole
SMILESBrc1ccc2nc(/C=C/c3ccccc3)[nH]c2c1
InChIInChI=1S/C15H11BrN2/c16-12-7-8-13-14(10-12)18-15(17-13)9-6-11-4-2-1-3-5-11/h1-10H,(H,17,18)/b9-6+
InChIKeyBPFGIDLJLIKONJ-RMKNXTFCSA-N
XLogP4.50
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[(E)-2-phenylethenyl]-1H-benzimidazole?
The IUPAC name of 6-bromo-2-[(E)-2-phenylethenyl]-1H-benzimidazole (CID 15310843) is 6-bromo-2-[(E)-2-phenylethenyl]-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-[(E)-2-phenylethenyl]-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-[(E)-2-phenylethenyl]-1H-benzimidazole is Brc1ccc2nc(/C=C/c3ccccc3)[nH]c2c1.
What is the InChIKey of 6-bromo-2-[(E)-2-phenylethenyl]-1H-benzimidazole?
The InChIKey is BPFGIDLJLIKONJ-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H11BrN2/c16-12-7-8-13-14(10-12)18-15(17-13)9-6-11-4-2-1-3-5-11/h1-10H,(H,17,18)/b9-6+.
What are the key properties of 6-bromo-2-[(E)-2-phenylethenyl]-1H-benzimidazole?
6-bromo-2-[(E)-2-phenylethenyl]-1H-benzimidazole has a molecular weight of 299.17 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[(E)-2-phenylethenyl]-1H-benzimidazole is sourced from PubChem (CID 15310843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).