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

C19H23BrN2 — CID 91356602

IUPAC6-bromo-2-[(E)-2-phenylethenyl]-1H-benzimidazole;ethane
SMILESBrc1ccc2nc(/C=C/c3ccccc3)[nH]c2c1.CC.CC
InChIInChI=1S/C15H11BrN2.2C2H6/c16-12-7-8-13-14(10-12)18-15(17-13)9-6-11-4-2-1-3-5-11;2*1-2/h1-10H,(H,17,18);2*1-2H3/b9-6+;;
InChIKeyGINGDXDEQFXLFI-SWSRPJROSA-N
MW359.31 g/mol
LogP6.55
Rot. Bonds2

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

6-bromo-2-[(E)-2-phenylethenyl]-1H-benzimidazole;ethane (PubChem CID 91356602) has the molecular formula C19H23BrN2 and a molecular weight of 359.31 g/mol. Its IUPAC name is 6-bromo-2-[(E)-2-phenylethenyl]-1H-benzimidazole;ethane.

Molecular Properties

Compound Name6-bromo-2-[(E)-2-phenylethenyl]-1H-benzimidazole;ethane
PubChem CID91356602
Molecular FormulaC19H23BrN2
Molecular Weight359.31 g/mol
Exact Mass358.10
IUPAC Name6-bromo-2-[(E)-2-phenylethenyl]-1H-benzimidazole;ethane
SMILESBrc1ccc2nc(/C=C/c3ccccc3)[nH]c2c1.CC.CC
InChIInChI=1S/C15H11BrN2.2C2H6/c16-12-7-8-13-14(10-12)18-15(17-13)9-6-11-4-2-1-3-5-11;2*1-2/h1-10H,(H,17,18);2*1-2H3/b9-6+;;
InChIKeyGINGDXDEQFXLFI-SWSRPJROSA-N
XLogP6.55
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.31
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-2-[(E)-2-(4-methylphenyl)ethenyl]-1H-benzimidazole
CID 15422407
6-chloro-2-(2-phenylethenyl)-1H-benzimidazole
CID 73193180
6-bromo-2-[2-[4-(trifluoromethoxy)phenyl]ethenyl]-1H-benzimidazole
CID 67165368
2-[2-(4-tert-butylphenyl)ethenyl]-6-phenyl-1H-benzimidazole
CID 141198504
2-[2-(4-chlorophenyl)ethenyl]-6-phenyl-1H-benzimidazole
CID 67164143
6-nitro-2-[(Z)-2-phenylethenyl]-1H-benzimidazole
CID 92970296
6-nonyl-2-(2-phenylethenyl)-1H-benzimidazole
CID 67635508
6-bromo-2-[(Z)-2-chloro-2-phenylethenyl]-1H-benzimidazole
CID 87293067
S-[2-[2-[(E)-2-(3-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]thiohydroxylamine
CID 88909956
6-bromo-2-[(Z)-2-chloroprop-1-enyl]-1H-benzimidazole;ethane
CID 91546288
2-[2-[(E)-2-(3-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide
CID 59008050
6-bromo-2-[(Z)-2-chloroprop-1-enyl]-1H-benzimidazole
CID 59008040

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[(E)-2-phenylethenyl]-1H-benzimidazole;ethane?
The IUPAC name of 6-bromo-2-[(E)-2-phenylethenyl]-1H-benzimidazole;ethane (CID 91356602) is 6-bromo-2-[(E)-2-phenylethenyl]-1H-benzimidazole;ethane.
What is the SMILES notation for 6-bromo-2-[(E)-2-phenylethenyl]-1H-benzimidazole;ethane?
The canonical SMILES for 6-bromo-2-[(E)-2-phenylethenyl]-1H-benzimidazole;ethane is Brc1ccc2nc(/C=C/c3ccccc3)[nH]c2c1.CC.CC.
What is the InChIKey of 6-bromo-2-[(E)-2-phenylethenyl]-1H-benzimidazole;ethane?
The InChIKey is GINGDXDEQFXLFI-SWSRPJROSA-N. The full InChI is InChI=1S/C15H11BrN2.2C2H6/c16-12-7-8-13-14(10-12)18-15(17-13)9-6-11-4-2-1-3-5-11;2*1-2/h1-10H,(H,17,18);2*1-2H3/b9-6+;;.
What are the key properties of 6-bromo-2-[(E)-2-phenylethenyl]-1H-benzimidazole;ethane?
6-bromo-2-[(E)-2-phenylethenyl]-1H-benzimidazole;ethane has a molecular weight of 359.31 g/mol, XLogP of 6.55, 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;ethane is sourced from PubChem (CID 91356602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).