2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1-[(2-methylphenyl)methyl]benzimidazole

C23H18Cl2N2 — CID 18878876

IUPAC2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1-[(2-methylphenyl)methyl]benzimidazole
SMILESCc1ccccc1Cn1c(/C=C/c2c(Cl)cccc2Cl)nc2ccccc21
InChIInChI=1S/C23H18Cl2N2/c1-16-7-2-3-8-17(16)15-27-22-12-5-4-11-21(22)26-23(27)14-13-18-19(24)9-6-10-20(18)25/h2-14H,15H2,1H3/b14-13+
InChIKeyGEQOKEUKBPCDOS-BUHFOSPRSA-N
MW393.32 g/mol
LogP6.87
Rot. Bonds4

About 2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1-[(2-methylphenyl)methyl]benzimidazole

2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1-[(2-methylphenyl)methyl]benzimidazole (PubChem CID 18878876) has the molecular formula C23H18Cl2N2 and a molecular weight of 393.32 g/mol. Its IUPAC name is 2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1-[(2-methylphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1-[(2-methylphenyl)methyl]benzimidazole
PubChem CID18878876
Molecular FormulaC23H18Cl2N2
Molecular Weight393.32 g/mol
Exact Mass392.08
IUPAC Name2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1-[(2-methylphenyl)methyl]benzimidazole
SMILESCc1ccccc1Cn1c(/C=C/c2c(Cl)cccc2Cl)nc2ccccc21
InChIInChI=1S/C23H18Cl2N2/c1-16-7-2-3-8-17(16)15-27-22-12-5-4-11-21(22)26-23(27)14-13-18-19(24)9-6-10-20(18)25/h2-14H,15H2,1H3/b14-13+
InChIKeyGEQOKEUKBPCDOS-BUHFOSPRSA-N
XLogP6.87
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.32
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1-prop-2-enylbenzimidazole
CID 18878893
1-[(2,6-dichlorophenyl)methyl]-2-(2-phenylethenyl)benzimidazole
CID 2768870
1-benzyl-2-[2-(2-chlorophenyl)ethenyl]benzimidazole
CID 3805871
1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole
CID 709571
1-[(2-methylphenyl)methyl]-2-phenylbenzimidazole
CID 1320430
2-(3-methylphenyl)-1-[(2-methylphenyl)methyl]benzimidazole
CID 17000755
1-[(2-chloro-6-fluorophenyl)methyl]-2-[(E)-2-(4-chlorophenyl)ethenyl]benzimidazole
CID 16999772
2-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethanol
CID 17027842
2-[2-(4-chlorophenyl)ethenyl]-1-[(4-chlorophenyl)methyl]benzimidazole
CID 3719210
1-ethyl-2-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]benzimidazole;dihydrate
CID 139069013
4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]aniline
CID 92629106
2-(2-chlorophenyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 3596016

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1-[(2-methylphenyl)methyl]benzimidazole?
The IUPAC name of 2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1-[(2-methylphenyl)methyl]benzimidazole (CID 18878876) is 2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1-[(2-methylphenyl)methyl]benzimidazole.
What is the SMILES notation for 2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1-[(2-methylphenyl)methyl]benzimidazole?
The canonical SMILES for 2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1-[(2-methylphenyl)methyl]benzimidazole is Cc1ccccc1Cn1c(/C=C/c2c(Cl)cccc2Cl)nc2ccccc21.
What is the InChIKey of 2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1-[(2-methylphenyl)methyl]benzimidazole?
The InChIKey is GEQOKEUKBPCDOS-BUHFOSPRSA-N. The full InChI is InChI=1S/C23H18Cl2N2/c1-16-7-2-3-8-17(16)15-27-22-12-5-4-11-21(22)26-23(27)14-13-18-19(24)9-6-10-20(18)25/h2-14H,15H2,1H3/b14-13+.
What are the key properties of 2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1-[(2-methylphenyl)methyl]benzimidazole?
2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1-[(2-methylphenyl)methyl]benzimidazole has a molecular weight of 393.32 g/mol, XLogP of 6.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1-[(2-methylphenyl)methyl]benzimidazole is sourced from PubChem (CID 18878876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).