2-[2-(4-chlorophenyl)ethenyl]-1-[(4-chlorophenyl)methyl]benzimidazole

C22H16Cl2N2 — CID 3719210

IUPAC2-[2-(4-chlorophenyl)ethenyl]-1-[(4-chlorophenyl)methyl]benzimidazole
SMILESClc1ccc(C=Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H16Cl2N2/c23-18-10-5-16(6-11-18)9-14-22-25-20-3-1-2-4-21(20)26(22)15-17-7-12-19(24)13-8-17/h1-14H,15H2
InChIKeyLOHCVDFABPUNNO-UHFFFAOYSA-N
MW379.29 g/mol
LogP6.56
Rot. Bonds4

About 2-[2-(4-chlorophenyl)ethenyl]-1-[(4-chlorophenyl)methyl]benzimidazole

2-[2-(4-chlorophenyl)ethenyl]-1-[(4-chlorophenyl)methyl]benzimidazole (PubChem CID 3719210) has the molecular formula C22H16Cl2N2 and a molecular weight of 379.29 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethenyl]-1-[(4-chlorophenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethenyl]-1-[(4-chlorophenyl)methyl]benzimidazole
PubChem CID3719210
Molecular FormulaC22H16Cl2N2
Molecular Weight379.29 g/mol
Exact Mass378.07
IUPAC Name2-[2-(4-chlorophenyl)ethenyl]-1-[(4-chlorophenyl)methyl]benzimidazole
SMILESClc1ccc(C=Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H16Cl2N2/c23-18-10-5-16(6-11-18)9-14-22-25-20-3-1-2-4-21(20)26(22)15-17-7-12-19(24)13-8-17/h1-14H,15H2
InChIKeyLOHCVDFABPUNNO-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

2-[(E)-2-(4-chlorophenyl)ethenyl]-1-[(3-chlorophenyl)methyl]benzimidazole
CID 18879525
1-[(4-fluorophenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 5293113
1-[(2-chloro-6-fluorophenyl)methyl]-2-[(E)-2-(4-chlorophenyl)ethenyl]benzimidazole
CID 16999772
2-[2-(4-chlorophenyl)ethenyl]-3-[(4-chlorophenyl)methyl]quinazolin-4-one
CID 71833929
1-benzyl-2-[2-(2-chlorophenyl)ethenyl]benzimidazole
CID 3805871
1-[(2,6-dichlorophenyl)methyl]-2-(2-phenylethenyl)benzimidazole
CID 2768870
1-[(4-butan-2-ylphenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 16999559
2-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzimidazol-1-yl]-1-morpholin-4-ylethanone
CID 16999857
2-[2-(4-chlorophenyl)ethenyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole
CID 3822868
1-[4-(4-chlorophenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 18879216
2-[(E)-2-(4-chlorophenyl)ethenyl]-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16999796
2-[(E)-2-(4-chlorophenyl)ethenyl]-1-[4-(3,5-dimethylphenoxy)butyl]benzimidazole
CID 16999834

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethenyl]-1-[(4-chlorophenyl)methyl]benzimidazole?
The IUPAC name of 2-[2-(4-chlorophenyl)ethenyl]-1-[(4-chlorophenyl)methyl]benzimidazole (CID 3719210) is 2-[2-(4-chlorophenyl)ethenyl]-1-[(4-chlorophenyl)methyl]benzimidazole.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethenyl]-1-[(4-chlorophenyl)methyl]benzimidazole?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethenyl]-1-[(4-chlorophenyl)methyl]benzimidazole is Clc1ccc(C=Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethenyl]-1-[(4-chlorophenyl)methyl]benzimidazole?
The InChIKey is LOHCVDFABPUNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N2/c23-18-10-5-16(6-11-18)9-14-22-25-20-3-1-2-4-21(20)26(22)15-17-7-12-19(24)13-8-17/h1-14H,15H2.
What are the key properties of 2-[2-(4-chlorophenyl)ethenyl]-1-[(4-chlorophenyl)methyl]benzimidazole?
2-[2-(4-chlorophenyl)ethenyl]-1-[(4-chlorophenyl)methyl]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 2-[2-(4-chlorophenyl)ethenyl]-1-[(4-chlorophenyl)methyl]benzimidazole is sourced from PubChem (CID 3719210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).