6-bromo-2-[(E)-2-(4-methylphenyl)ethenyl]-1H-benzimidazole

C16H13BrN2 — CID 15422407

IUPAC6-bromo-2-[(E)-2-(4-methylphenyl)ethenyl]-1H-benzimidazole
SMILESCc1ccc(/C=C/c2nc3ccc(Br)cc3[nH]2)cc1
InChIInChI=1S/C16H13BrN2/c1-11-2-4-12(5-3-11)6-9-16-18-14-8-7-13(17)10-15(14)19-16/h2-10H,1H3,(H,18,19)/b9-6+
InChIKeyHBFUZKJGDYSNIQ-RMKNXTFCSA-N
MW313.20 g/mol
LogP4.80
Rot. Bonds2

About 6-bromo-2-[(E)-2-(4-methylphenyl)ethenyl]-1H-benzimidazole

6-bromo-2-[(E)-2-(4-methylphenyl)ethenyl]-1H-benzimidazole (PubChem CID 15422407) has the molecular formula C16H13BrN2 and a molecular weight of 313.20 g/mol. Its IUPAC name is 6-bromo-2-[(E)-2-(4-methylphenyl)ethenyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-[(E)-2-(4-methylphenyl)ethenyl]-1H-benzimidazole
PubChem CID15422407
Molecular FormulaC16H13BrN2
Molecular Weight313.20 g/mol
Exact Mass312.03
IUPAC Name6-bromo-2-[(E)-2-(4-methylphenyl)ethenyl]-1H-benzimidazole
SMILESCc1ccc(/C=C/c2nc3ccc(Br)cc3[nH]2)cc1
InChIInChI=1S/C16H13BrN2/c1-11-2-4-12(5-3-11)6-9-16-18-14-8-7-13(17)10-15(14)19-16/h2-10H,1H3,(H,18,19)/b9-6+
InChIKeyHBFUZKJGDYSNIQ-RMKNXTFCSA-N
XLogP4.80
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 54.80
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-(4-methylphenyl)ethenyl]-1H-benzimidazole?
The IUPAC name of 6-bromo-2-[(E)-2-(4-methylphenyl)ethenyl]-1H-benzimidazole (CID 15422407) is 6-bromo-2-[(E)-2-(4-methylphenyl)ethenyl]-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-[(E)-2-(4-methylphenyl)ethenyl]-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-[(E)-2-(4-methylphenyl)ethenyl]-1H-benzimidazole is Cc1ccc(/C=C/c2nc3ccc(Br)cc3[nH]2)cc1.
What is the InChIKey of 6-bromo-2-[(E)-2-(4-methylphenyl)ethenyl]-1H-benzimidazole?
The InChIKey is HBFUZKJGDYSNIQ-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H13BrN2/c1-11-2-4-12(5-3-11)6-9-16-18-14-8-7-13(17)10-15(14)19-16/h2-10H,1H3,(H,18,19)/b9-6+.
What are the key properties of 6-bromo-2-[(E)-2-(4-methylphenyl)ethenyl]-1H-benzimidazole?
6-bromo-2-[(E)-2-(4-methylphenyl)ethenyl]-1H-benzimidazole has a molecular weight of 313.20 g/mol, XLogP of 4.80, 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-(4-methylphenyl)ethenyl]-1H-benzimidazole is sourced from PubChem (CID 15422407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).