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

C16H14N2 — CID 6048083

IUPAC2-[(E)-2-(4-methylphenyl)ethenyl]-1H-benzimidazole
SMILESCc1ccc(/C=C/c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C16H14N2/c1-12-6-8-13(9-7-12)10-11-16-17-14-4-2-3-5-15(14)18-16/h2-11H,1H3,(H,17,18)/b11-10+
InChIKeyOXJAYTNQJSNENK-ZHACJKMWSA-N
MW234.30 g/mol
LogP4.04
Rot. Bonds2

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

2-[(E)-2-(4-methylphenyl)ethenyl]-1H-benzimidazole (PubChem CID 6048083) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[(E)-2-(4-methylphenyl)ethenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(E)-2-(4-methylphenyl)ethenyl]-1H-benzimidazole
PubChem CID6048083
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name2-[(E)-2-(4-methylphenyl)ethenyl]-1H-benzimidazole
SMILESCc1ccc(/C=C/c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C16H14N2/c1-12-6-8-13(9-7-12)10-11-16-17-14-4-2-3-5-15(14)18-16/h2-11H,1H3,(H,17,18)/b11-10+
InChIKeyOXJAYTNQJSNENK-ZHACJKMWSA-N
XLogP4.04
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[2-(1H-benzimidazol-2-yl)ethenyl]aniline
CID 2749986
6-bromo-2-[(E)-2-(4-methylphenyl)ethenyl]-1H-benzimidazole
CID 15422407
2-[(Z)-prop-1-enyl]-1H-benzimidazole
CID 6166899
2-[2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-1H-benzimidazole
CID 141198526
[(E)-2-(1H-benzimidazol-2-yl)ethenyl]phosphane
CID 20732162
4-[2-(1H-benzimidazol-2-yl)ethenyl]-1,2-oxazole
CID 67417408
2-[2-(1H-benzimidazol-2-yl)ethenyl]phenol
CID 137201342
2-[2-(4-tert-butylphenyl)ethenyl]-6-phenyl-1H-benzimidazole
CID 141198504
2-[(4-methylphenyl)methyl]-1H-benzimidazole
CID 772158
2-[2-(4-chlorophenyl)ethenyl]-6-phenyl-1H-benzimidazole
CID 67164143
6-bromo-2-[(E)-2-phenylethenyl]-1H-benzimidazole;ethane
CID 91356602
3-(1H-benzimidazol-2-yl)prop-2-enoic acid
CID 4702151

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-methylphenyl)ethenyl]-1H-benzimidazole?
The IUPAC name of 2-[(E)-2-(4-methylphenyl)ethenyl]-1H-benzimidazole (CID 6048083) is 2-[(E)-2-(4-methylphenyl)ethenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(E)-2-(4-methylphenyl)ethenyl]-1H-benzimidazole?
The canonical SMILES for 2-[(E)-2-(4-methylphenyl)ethenyl]-1H-benzimidazole is Cc1ccc(/C=C/c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-[(E)-2-(4-methylphenyl)ethenyl]-1H-benzimidazole?
The InChIKey is OXJAYTNQJSNENK-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H14N2/c1-12-6-8-13(9-7-12)10-11-16-17-14-4-2-3-5-15(14)18-16/h2-11H,1H3,(H,17,18)/b11-10+.
What are the key properties of 2-[(E)-2-(4-methylphenyl)ethenyl]-1H-benzimidazole?
2-[(E)-2-(4-methylphenyl)ethenyl]-1H-benzimidazole has a molecular weight of 234.30 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-methylphenyl)ethenyl]-1H-benzimidazole is sourced from PubChem (CID 6048083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).