2-[(E)-2-(3-methylphenyl)ethenyl]-1-pyridin-2-ylbenzimidazole;hydrochloride

C21H18ClN3 — CID 22736645

IUPAC2-[(E)-2-(3-methylphenyl)ethenyl]-1-pyridin-2-ylbenzimidazole;hydrochloride
SMILESCc1cccc(/C=C/c2nc3ccccc3n2-c2ccccn2)c1.Cl
InChIInChI=1S/C21H17N3.ClH/c1-16-7-6-8-17(15-16)12-13-21-23-18-9-2-3-10-19(18)24(21)20-11-4-5-14-22-20;/h2-15H,1H3;1H/b13-12+;
InChIKeyIVZCQGYNOMYELC-UEIGIMKUSA-N
MW347.85 g/mol
LogP5.32
Rot. Bonds3

About 2-[(E)-2-(3-methylphenyl)ethenyl]-1-pyridin-2-ylbenzimidazole;hydrochloride

2-[(E)-2-(3-methylphenyl)ethenyl]-1-pyridin-2-ylbenzimidazole;hydrochloride (PubChem CID 22736645) has the molecular formula C21H18ClN3 and a molecular weight of 347.85 g/mol. Its IUPAC name is 2-[(E)-2-(3-methylphenyl)ethenyl]-1-pyridin-2-ylbenzimidazole;hydrochloride.

Molecular Properties

Compound Name2-[(E)-2-(3-methylphenyl)ethenyl]-1-pyridin-2-ylbenzimidazole;hydrochloride
PubChem CID22736645
Molecular FormulaC21H18ClN3
Molecular Weight347.85 g/mol
Exact Mass347.12
IUPAC Name2-[(E)-2-(3-methylphenyl)ethenyl]-1-pyridin-2-ylbenzimidazole;hydrochloride
SMILESCc1cccc(/C=C/c2nc3ccccc3n2-c2ccccn2)c1.Cl
InChIInChI=1S/C21H17N3.ClH/c1-16-7-6-8-17(15-16)12-13-21-23-18-9-2-3-10-19(18)24(21)20-11-4-5-14-22-20;/h2-15H,1H3;1H/b13-12+;
InChIKeyIVZCQGYNOMYELC-UEIGIMKUSA-N
XLogP5.32
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.85
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(3-methylphenyl)ethenyl]-1-pyridin-2-ylbenzimidazole;hydrochloride?
The IUPAC name of 2-[(E)-2-(3-methylphenyl)ethenyl]-1-pyridin-2-ylbenzimidazole;hydrochloride (CID 22736645) is 2-[(E)-2-(3-methylphenyl)ethenyl]-1-pyridin-2-ylbenzimidazole;hydrochloride.
What is the SMILES notation for 2-[(E)-2-(3-methylphenyl)ethenyl]-1-pyridin-2-ylbenzimidazole;hydrochloride?
The canonical SMILES for 2-[(E)-2-(3-methylphenyl)ethenyl]-1-pyridin-2-ylbenzimidazole;hydrochloride is Cc1cccc(/C=C/c2nc3ccccc3n2-c2ccccn2)c1.Cl.
What is the InChIKey of 2-[(E)-2-(3-methylphenyl)ethenyl]-1-pyridin-2-ylbenzimidazole;hydrochloride?
The InChIKey is IVZCQGYNOMYELC-UEIGIMKUSA-N. The full InChI is InChI=1S/C21H17N3.ClH/c1-16-7-6-8-17(15-16)12-13-21-23-18-9-2-3-10-19(18)24(21)20-11-4-5-14-22-20;/h2-15H,1H3;1H/b13-12+;.
What are the key properties of 2-[(E)-2-(3-methylphenyl)ethenyl]-1-pyridin-2-ylbenzimidazole;hydrochloride?
2-[(E)-2-(3-methylphenyl)ethenyl]-1-pyridin-2-ylbenzimidazole;hydrochloride has a molecular weight of 347.85 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(3-methylphenyl)ethenyl]-1-pyridin-2-ylbenzimidazole;hydrochloride is sourced from PubChem (CID 22736645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).