2-[(E)-2-(4-chlorophenyl)ethenyl]-1-[(3-chlorophenyl)methyl]benzimidazole

C22H16Cl2N2 — CID 18879525

IUPAC2-[(E)-2-(4-chlorophenyl)ethenyl]-1-[(3-chlorophenyl)methyl]benzimidazole
SMILESClc1ccc(/C=C/c2nc3ccccc3n2Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C22H16Cl2N2/c23-18-11-8-16(9-12-18)10-13-22-25-20-6-1-2-7-21(20)26(22)15-17-4-3-5-19(24)14-17/h1-14H,15H2/b13-10+
InChIKeyYXUBLSMZJVEKHY-JLHYYAGUSA-N
MW379.29 g/mol
LogP6.56
Rot. Bonds4

About 2-[(E)-2-(4-chlorophenyl)ethenyl]-1-[(3-chlorophenyl)methyl]benzimidazole

2-[(E)-2-(4-chlorophenyl)ethenyl]-1-[(3-chlorophenyl)methyl]benzimidazole (PubChem CID 18879525) has the molecular formula C22H16Cl2N2 and a molecular weight of 379.29 g/mol. Its IUPAC name is 2-[(E)-2-(4-chlorophenyl)ethenyl]-1-[(3-chlorophenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-[(E)-2-(4-chlorophenyl)ethenyl]-1-[(3-chlorophenyl)methyl]benzimidazole
PubChem CID18879525
Molecular FormulaC22H16Cl2N2
Molecular Weight379.29 g/mol
Exact Mass378.07
IUPAC Name2-[(E)-2-(4-chlorophenyl)ethenyl]-1-[(3-chlorophenyl)methyl]benzimidazole
SMILESClc1ccc(/C=C/c2nc3ccccc3n2Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C22H16Cl2N2/c23-18-11-8-16(9-12-18)10-13-22-25-20-6-1-2-7-21(20)26(22)15-17-4-3-5-19(24)14-17/h1-14H,15H2/b13-10+
InChIKeyYXUBLSMZJVEKHY-JLHYYAGUSA-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-[2-(4-chlorophenyl)ethenyl]-1-[(4-chlorophenyl)methyl]benzimidazole
CID 3719210
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
2-benzyl-1-[(3-chlorophenyl)methyl]benzimidazole
CID 18879539
1-[(2,6-dichlorophenyl)methyl]-2-(2-phenylethenyl)benzimidazole
CID 2768870
1-[(4-fluorophenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 5293113
1-[(3-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)benzimidazole
CID 134083955
2-[2-(4-chlorophenyl)ethenyl]-3-[(4-chlorophenyl)methyl]quinazolin-4-one
CID 71833929
1-[(3-chlorophenyl)methyl]-2-(2-methylpropyl)benzimidazole
CID 974585
1-[(3-chlorophenyl)methyl]-2-methylsulfonylbenzimidazole
CID 16799897
(E)-3-[3-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 10408900
1-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)benzimidazole
CID 19243208

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-chlorophenyl)ethenyl]-1-[(3-chlorophenyl)methyl]benzimidazole?
The IUPAC name of 2-[(E)-2-(4-chlorophenyl)ethenyl]-1-[(3-chlorophenyl)methyl]benzimidazole (CID 18879525) is 2-[(E)-2-(4-chlorophenyl)ethenyl]-1-[(3-chlorophenyl)methyl]benzimidazole.
What is the SMILES notation for 2-[(E)-2-(4-chlorophenyl)ethenyl]-1-[(3-chlorophenyl)methyl]benzimidazole?
The canonical SMILES for 2-[(E)-2-(4-chlorophenyl)ethenyl]-1-[(3-chlorophenyl)methyl]benzimidazole is Clc1ccc(/C=C/c2nc3ccccc3n2Cc2cccc(Cl)c2)cc1.
What is the InChIKey of 2-[(E)-2-(4-chlorophenyl)ethenyl]-1-[(3-chlorophenyl)methyl]benzimidazole?
The InChIKey is YXUBLSMZJVEKHY-JLHYYAGUSA-N. The full InChI is InChI=1S/C22H16Cl2N2/c23-18-11-8-16(9-12-18)10-13-22-25-20-6-1-2-7-21(20)26(22)15-17-4-3-5-19(24)14-17/h1-14H,15H2/b13-10+.
What are the key properties of 2-[(E)-2-(4-chlorophenyl)ethenyl]-1-[(3-chlorophenyl)methyl]benzimidazole?
2-[(E)-2-(4-chlorophenyl)ethenyl]-1-[(3-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-[(E)-2-(4-chlorophenyl)ethenyl]-1-[(3-chlorophenyl)methyl]benzimidazole is sourced from PubChem (CID 18879525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).