1-[(2,6-dichlorophenyl)methyl]-2-(2-phenylethenyl)benzimidazole

C22H16Cl2N2 — CID 2768870

IUPAC1-[(2,6-dichlorophenyl)methyl]-2-(2-phenylethenyl)benzimidazole
SMILESClc1cccc(Cl)c1Cn1c(C=Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C22H16Cl2N2/c23-18-9-6-10-19(24)17(18)15-26-21-12-5-4-11-20(21)25-22(26)14-13-16-7-2-1-3-8-16/h1-14H,15H2
InChIKeyPKRGXMYJXASSLM-UHFFFAOYSA-N
MW379.29 g/mol
LogP6.56
Rot. Bonds4

About 1-[(2,6-dichlorophenyl)methyl]-2-(2-phenylethenyl)benzimidazole

1-[(2,6-dichlorophenyl)methyl]-2-(2-phenylethenyl)benzimidazole (PubChem CID 2768870) has the molecular formula C22H16Cl2N2 and a molecular weight of 379.29 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-2-(2-phenylethenyl)benzimidazole.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-2-(2-phenylethenyl)benzimidazole
PubChem CID2768870
Molecular FormulaC22H16Cl2N2
Molecular Weight379.29 g/mol
Exact Mass378.07
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-2-(2-phenylethenyl)benzimidazole
SMILESClc1cccc(Cl)c1Cn1c(C=Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C22H16Cl2N2/c23-18-9-6-10-19(24)17(18)15-26-21-12-5-4-11-20(21)25-22(26)14-13-16-7-2-1-3-8-16/h1-14H,15H2
InChIKeyPKRGXMYJXASSLM-UHFFFAOYSA-N
XLogP6.56
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.29
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chloro-6-fluorophenyl)methyl]-2-[(E)-2-(4-chlorophenyl)ethenyl]benzimidazole
CID 16999772
1-benzyl-2-[2-(2-chlorophenyl)ethenyl]benzimidazole
CID 3805871
1-[(4-fluorophenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 5293113
2-[2-(4-chlorophenyl)ethenyl]-1-[(4-chlorophenyl)methyl]benzimidazole
CID 3719210
1-[(2-chloro-6-fluorophenyl)methyl]benzimidazole-2-carbaldehyde
CID 53262926
2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1-[(2-methylphenyl)methyl]benzimidazole
CID 18878876
2-[(E)-2-(4-chlorophenyl)ethenyl]-1-[(3-chlorophenyl)methyl]benzimidazole
CID 18879525
2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetonitrile
CID 82144934
2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1-prop-2-enylbenzimidazole
CID 18878893
1-[(4-butan-2-ylphenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 16999559
1-[(2,6-dichlorophenyl)methyl]-2-methylsulfanylbenzimidazole
CID 804558
1-butyl-2-(2-phenylethenyl)benzimidazole
CID 2896888

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-2-(2-phenylethenyl)benzimidazole?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-2-(2-phenylethenyl)benzimidazole (CID 2768870) is 1-[(2,6-dichlorophenyl)methyl]-2-(2-phenylethenyl)benzimidazole.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-2-(2-phenylethenyl)benzimidazole?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-2-(2-phenylethenyl)benzimidazole is Clc1cccc(Cl)c1Cn1c(C=Cc2ccccc2)nc2ccccc21.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-2-(2-phenylethenyl)benzimidazole?
The InChIKey is PKRGXMYJXASSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N2/c23-18-9-6-10-19(24)17(18)15-26-21-12-5-4-11-20(21)25-22(26)14-13-16-7-2-1-3-8-16/h1-14H,15H2.
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-2-(2-phenylethenyl)benzimidazole?
1-[(2,6-dichlorophenyl)methyl]-2-(2-phenylethenyl)benzimidazole has a molecular weight of 379.29 g/mol, XLogP of 6.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-2-(2-phenylethenyl)benzimidazole is sourced from PubChem (CID 2768870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).