1-[(2-chloro-6-fluorophenyl)methyl]-2-[(E)-2-(4-chlorophenyl)ethenyl]benzimidazole

C22H15Cl2FN2 — CID 16999772

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-2-[(E)-2-(4-chlorophenyl)ethenyl]benzimidazole
SMILESFc1cccc(Cl)c1Cn1c(/C=C/c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C22H15Cl2FN2/c23-16-11-8-15(9-12-16)10-13-22-26-20-6-1-2-7-21(20)27(22)14-17-18(24)4-3-5-19(17)25/h1-13H,14H2/b13-10+
InChIKeyIPCMQEAAIYYWOP-JLHYYAGUSA-N
MW397.28 g/mol
LogP6.70
Rot. Bonds4

About 1-[(2-chloro-6-fluorophenyl)methyl]-2-[(E)-2-(4-chlorophenyl)ethenyl]benzimidazole

1-[(2-chloro-6-fluorophenyl)methyl]-2-[(E)-2-(4-chlorophenyl)ethenyl]benzimidazole (PubChem CID 16999772) has the molecular formula C22H15Cl2FN2 and a molecular weight of 397.28 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-2-[(E)-2-(4-chlorophenyl)ethenyl]benzimidazole.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-2-[(E)-2-(4-chlorophenyl)ethenyl]benzimidazole
PubChem CID16999772
Molecular FormulaC22H15Cl2FN2
Molecular Weight397.28 g/mol
Exact Mass396.06
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-2-[(E)-2-(4-chlorophenyl)ethenyl]benzimidazole
SMILESFc1cccc(Cl)c1Cn1c(/C=C/c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C22H15Cl2FN2/c23-16-11-8-15(9-12-16)10-13-22-26-20-6-1-2-7-21(20)27(22)14-17-18(24)4-3-5-19(17)25/h1-13H,14H2/b13-10+
InChIKeyIPCMQEAAIYYWOP-JLHYYAGUSA-N
XLogP6.70
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.28
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,6-dichlorophenyl)methyl]-2-(2-phenylethenyl)benzimidazole
CID 2768870
1-[(2-chloro-6-fluorophenyl)methyl]benzimidazole-2-carbaldehyde
CID 53262926
2-[2-(4-chlorophenyl)ethenyl]-1-[(4-chlorophenyl)methyl]benzimidazole
CID 3719210
2-[(E)-2-(4-chlorophenyl)ethenyl]-1-[(3-chlorophenyl)methyl]benzimidazole
CID 18879525
1-[(2-chloro-6-fluorophenyl)methyl]-2-(2-fluorophenyl)benzimidazole
CID 19243364
1-[(2-chloro-6-fluorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole
CID 18878249
1-[(2-chloro-6-fluorophenyl)methyl]-2-(methoxymethyl)benzimidazole
CID 718215
1-[(4-fluorophenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 5293113
3-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]propan-1-ol
CID 2947354
N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide
CID 2989675
2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1-prop-2-enylbenzimidazole
CID 18878893
1-benzyl-2-[2-(2-chlorophenyl)ethenyl]benzimidazole
CID 3805871

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-2-[(E)-2-(4-chlorophenyl)ethenyl]benzimidazole?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-2-[(E)-2-(4-chlorophenyl)ethenyl]benzimidazole (CID 16999772) is 1-[(2-chloro-6-fluorophenyl)methyl]-2-[(E)-2-(4-chlorophenyl)ethenyl]benzimidazole.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-2-[(E)-2-(4-chlorophenyl)ethenyl]benzimidazole?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-2-[(E)-2-(4-chlorophenyl)ethenyl]benzimidazole is Fc1cccc(Cl)c1Cn1c(/C=C/c2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-2-[(E)-2-(4-chlorophenyl)ethenyl]benzimidazole?
The InChIKey is IPCMQEAAIYYWOP-JLHYYAGUSA-N. The full InChI is InChI=1S/C22H15Cl2FN2/c23-16-11-8-15(9-12-16)10-13-22-26-20-6-1-2-7-21(20)27(22)14-17-18(24)4-3-5-19(17)25/h1-13H,14H2/b13-10+.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-2-[(E)-2-(4-chlorophenyl)ethenyl]benzimidazole?
1-[(2-chloro-6-fluorophenyl)methyl]-2-[(E)-2-(4-chlorophenyl)ethenyl]benzimidazole has a molecular weight of 397.28 g/mol, XLogP of 6.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-2-[(E)-2-(4-chlorophenyl)ethenyl]benzimidazole is sourced from PubChem (CID 16999772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).