2-(4-chlorophenyl)-1-[(E)-3-phenylprop-2-enyl]benzimidazole

C22H17ClN2 — CID 17001023

IUPAC2-(4-chlorophenyl)-1-[(E)-3-phenylprop-2-enyl]benzimidazole
SMILESClc1ccc(-c2nc3ccccc3n2C/C=C/c2ccccc2)cc1
InChIInChI=1S/C22H17ClN2/c23-19-14-12-18(13-15-19)22-24-20-10-4-5-11-21(20)25(22)16-6-9-17-7-2-1-3-8-17/h1-15H,16H2/b9-6+
InChIKeyVHHIJJOTZDXSGL-RMKNXTFCSA-N
MW344.85 g/mol
LogP6.07
Rot. Bonds4

About 2-(4-chlorophenyl)-1-[(E)-3-phenylprop-2-enyl]benzimidazole

2-(4-chlorophenyl)-1-[(E)-3-phenylprop-2-enyl]benzimidazole (PubChem CID 17001023) has the molecular formula C22H17ClN2 and a molecular weight of 344.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[(E)-3-phenylprop-2-enyl]benzimidazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[(E)-3-phenylprop-2-enyl]benzimidazole
PubChem CID17001023
Molecular FormulaC22H17ClN2
Molecular Weight344.85 g/mol
Exact Mass344.11
IUPAC Name2-(4-chlorophenyl)-1-[(E)-3-phenylprop-2-enyl]benzimidazole
SMILESClc1ccc(-c2nc3ccccc3n2C/C=C/c2ccccc2)cc1
InChIInChI=1S/C22H17ClN2/c23-19-14-12-18(13-15-19)22-24-20-10-4-5-11-21(20)25(22)16-6-9-17-7-2-1-3-8-17/h1-15H,16H2/b9-6+
InChIKeyVHHIJJOTZDXSGL-RMKNXTFCSA-N
XLogP6.07
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.85
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-3-phenylprop-2-enyl]-2-thiophen-2-ylbenzimidazole
CID 17000270
2-(4-chlorophenyl)-1-(2-phenylethyl)benzimidazole
CID 5095173
2-benzhydryl-1-[(E)-3-phenylprop-2-enyl]benzimidazole
CID 16987231
2-benzyl-1-[(E)-3-phenylprop-2-enyl]benzimidazole
CID 16995564
2-tert-butyl-1-[(E)-3-phenylprop-2-enyl]benzimidazole
CID 17000384
1-[(E)-3-phenylprop-2-enyl]-2-(trifluoromethyl)benzimidazole
CID 16996768
1-(4-chlorobutyl)-2-(4-chlorophenyl)benzimidazole
CID 68599548
2-(4-chlorophenyl)-N-[1-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]acetamide
CID 16973036
2-(4-chlorophenyl)-1-(4-phenoxybutyl)benzimidazole
CID 18879129
1-benzyl-2-(4-fluorophenyl)benzimidazole
CID 19243195
2-(4-chlorophenyl)-1-methylbenzimidazole
CID 974595
(5Z)-5-[[4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 155569623

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[(E)-3-phenylprop-2-enyl]benzimidazole?
The IUPAC name of 2-(4-chlorophenyl)-1-[(E)-3-phenylprop-2-enyl]benzimidazole (CID 17001023) is 2-(4-chlorophenyl)-1-[(E)-3-phenylprop-2-enyl]benzimidazole.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[(E)-3-phenylprop-2-enyl]benzimidazole?
The canonical SMILES for 2-(4-chlorophenyl)-1-[(E)-3-phenylprop-2-enyl]benzimidazole is Clc1ccc(-c2nc3ccccc3n2C/C=C/c2ccccc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[(E)-3-phenylprop-2-enyl]benzimidazole?
The InChIKey is VHHIJJOTZDXSGL-RMKNXTFCSA-N. The full InChI is InChI=1S/C22H17ClN2/c23-19-14-12-18(13-15-19)22-24-20-10-4-5-11-21(20)25(22)16-6-9-17-7-2-1-3-8-17/h1-15H,16H2/b9-6+.
What are the key properties of 2-(4-chlorophenyl)-1-[(E)-3-phenylprop-2-enyl]benzimidazole?
2-(4-chlorophenyl)-1-[(E)-3-phenylprop-2-enyl]benzimidazole has a molecular weight of 344.85 g/mol, XLogP of 6.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[(E)-3-phenylprop-2-enyl]benzimidazole is sourced from PubChem (CID 17001023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).