1-benzyl-2-[2-(2-chlorophenyl)ethenyl]benzimidazole

C22H17ClN2 — CID 3805871

IUPAC1-benzyl-2-[2-(2-chlorophenyl)ethenyl]benzimidazole
SMILESClc1ccccc1C=Cc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C22H17ClN2/c23-19-11-5-4-10-18(19)14-15-22-24-20-12-6-7-13-21(20)25(22)16-17-8-2-1-3-9-17/h1-15H,16H2
InChIKeyGHKCVSVRDTUOQS-UHFFFAOYSA-N
MW344.85 g/mol
LogP5.91
Rot. Bonds4

About 1-benzyl-2-[2-(2-chlorophenyl)ethenyl]benzimidazole

1-benzyl-2-[2-(2-chlorophenyl)ethenyl]benzimidazole (PubChem CID 3805871) has the molecular formula C22H17ClN2 and a molecular weight of 344.85 g/mol. Its IUPAC name is 1-benzyl-2-[2-(2-chlorophenyl)ethenyl]benzimidazole.

Molecular Properties

Compound Name1-benzyl-2-[2-(2-chlorophenyl)ethenyl]benzimidazole
PubChem CID3805871
Molecular FormulaC22H17ClN2
Molecular Weight344.85 g/mol
Exact Mass344.11
IUPAC Name1-benzyl-2-[2-(2-chlorophenyl)ethenyl]benzimidazole
SMILESClc1ccccc1C=Cc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C22H17ClN2/c23-19-11-5-4-10-18(19)14-15-22-24-20-12-6-7-13-21(20)25(22)16-17-8-2-1-3-9-17/h1-15H,16H2
InChIKeyGHKCVSVRDTUOQS-UHFFFAOYSA-N
XLogP5.91
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 ≤ 55.91
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
2-[2-(4-chlorophenyl)ethenyl]-1-[(4-chlorophenyl)methyl]benzimidazole
CID 3719210
1-[(4-fluorophenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 5293113
2-[(E)-2-(4-chlorophenyl)ethenyl]-1-[(3-chlorophenyl)methyl]benzimidazole
CID 18879525
1-benzyl-2-chlorobenzimidazole
CID 3821987
2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1-[(2-methylphenyl)methyl]benzimidazole
CID 18878876
(E)-3-(1-benzylbenzimidazol-2-yl)-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 6229074
2-[2-(2-methoxyphenyl)ethenyl]-1-(2-phenylethyl)benzimidazole
CID 3728738
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-chloro-6-fluorophenyl)methyl]-2-[(E)-2-(4-chlorophenyl)ethenyl]benzimidazole
CID 16999772
1-benzyl-2-[1-(1-benzylbenzimidazol-2-yl)ethyl]benzimidazole
CID 141183373

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[2-(2-chlorophenyl)ethenyl]benzimidazole?
The IUPAC name of 1-benzyl-2-[2-(2-chlorophenyl)ethenyl]benzimidazole (CID 3805871) is 1-benzyl-2-[2-(2-chlorophenyl)ethenyl]benzimidazole.
What is the SMILES notation for 1-benzyl-2-[2-(2-chlorophenyl)ethenyl]benzimidazole?
The canonical SMILES for 1-benzyl-2-[2-(2-chlorophenyl)ethenyl]benzimidazole is Clc1ccccc1C=Cc1nc2ccccc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-[2-(2-chlorophenyl)ethenyl]benzimidazole?
The InChIKey is GHKCVSVRDTUOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2/c23-19-11-5-4-10-18(19)14-15-22-24-20-12-6-7-13-21(20)25(22)16-17-8-2-1-3-9-17/h1-15H,16H2.
What are the key properties of 1-benzyl-2-[2-(2-chlorophenyl)ethenyl]benzimidazole?
1-benzyl-2-[2-(2-chlorophenyl)ethenyl]benzimidazole has a molecular weight of 344.85 g/mol, XLogP of 5.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[2-(2-chlorophenyl)ethenyl]benzimidazole is sourced from PubChem (CID 3805871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).