1-(6-methyl-2-pyridinyl)-2-[(E)-2-phenylethenyl]benzimidazole;hydrochloride

C21H18ClN3 — CID 22736649

IUPAC1-(6-methyl-2-pyridinyl)-2-[(E)-2-phenylethenyl]benzimidazole;hydrochloride
SMILESCc1cccc(-n2c(/C=C/c3ccccc3)nc3ccccc32)n1.Cl
InChIInChI=1S/C21H17N3.ClH/c1-16-8-7-13-20(22-16)24-19-12-6-5-11-18(19)23-21(24)15-14-17-9-3-2-4-10-17;/h2-15H,1H3;1H/b15-14+;
InChIKeyRNSSYLISOPICGI-WPDLWGESSA-N
MW347.85 g/mol
LogP5.32
Rot. Bonds3

About 1-(6-methyl-2-pyridinyl)-2-[(E)-2-phenylethenyl]benzimidazole;hydrochloride

1-(6-methyl-2-pyridinyl)-2-[(E)-2-phenylethenyl]benzimidazole;hydrochloride (PubChem CID 22736649) has the molecular formula C21H18ClN3 and a molecular weight of 347.85 g/mol. Its IUPAC name is 1-(6-methyl-2-pyridinyl)-2-[(E)-2-phenylethenyl]benzimidazole;hydrochloride.

Molecular Properties

Compound Name1-(6-methyl-2-pyridinyl)-2-[(E)-2-phenylethenyl]benzimidazole;hydrochloride
PubChem CID22736649
Molecular FormulaC21H18ClN3
Molecular Weight347.85 g/mol
Exact Mass347.12
IUPAC Name1-(6-methyl-2-pyridinyl)-2-[(E)-2-phenylethenyl]benzimidazole;hydrochloride
SMILESCc1cccc(-n2c(/C=C/c3ccccc3)nc3ccccc32)n1.Cl
InChIInChI=1S/C21H17N3.ClH/c1-16-8-7-13-20(22-16)24-19-12-6-5-11-18(19)23-21(24)15-14-17-9-3-2-4-10-17;/h2-15H,1H3;1H/b15-14+;
InChIKeyRNSSYLISOPICGI-WPDLWGESSA-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

Analyze 1-(6-methyl-2-pyridinyl)-2-[(E)-2-phenylethenyl]benzimidazole;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-pyridinyl)-2-[(E)-2-phenylethenyl]benzimidazole;hydrochloride?
The IUPAC name of 1-(6-methyl-2-pyridinyl)-2-[(E)-2-phenylethenyl]benzimidazole;hydrochloride (CID 22736649) is 1-(6-methyl-2-pyridinyl)-2-[(E)-2-phenylethenyl]benzimidazole;hydrochloride.
What is the SMILES notation for 1-(6-methyl-2-pyridinyl)-2-[(E)-2-phenylethenyl]benzimidazole;hydrochloride?
The canonical SMILES for 1-(6-methyl-2-pyridinyl)-2-[(E)-2-phenylethenyl]benzimidazole;hydrochloride is Cc1cccc(-n2c(/C=C/c3ccccc3)nc3ccccc32)n1.Cl.
What is the InChIKey of 1-(6-methyl-2-pyridinyl)-2-[(E)-2-phenylethenyl]benzimidazole;hydrochloride?
The InChIKey is RNSSYLISOPICGI-WPDLWGESSA-N. The full InChI is InChI=1S/C21H17N3.ClH/c1-16-8-7-13-20(22-16)24-19-12-6-5-11-18(19)23-21(24)15-14-17-9-3-2-4-10-17;/h2-15H,1H3;1H/b15-14+;.
What are the key properties of 1-(6-methyl-2-pyridinyl)-2-[(E)-2-phenylethenyl]benzimidazole;hydrochloride?
1-(6-methyl-2-pyridinyl)-2-[(E)-2-phenylethenyl]benzimidazole;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 1-(6-methyl-2-pyridinyl)-2-[(E)-2-phenylethenyl]benzimidazole;hydrochloride is sourced from PubChem (CID 22736649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).