6-(2-chlorophenyl)-2-[(E)-2-cyclohexylethenyl]-1H-benzimidazole

C21H21ClN2 — CID 57392158

IUPAC6-(2-chlorophenyl)-2-[(E)-2-cyclohexylethenyl]-1H-benzimidazole
SMILESClc1ccccc1-c1ccc2nc(/C=C/C3CCCCC3)[nH]c2c1
InChIInChI=1S/C21H21ClN2/c22-18-9-5-4-8-17(18)16-11-12-19-20(14-16)24-21(23-19)13-10-15-6-2-1-3-7-15/h4-5,8-15H,1-3,6-7H2,(H,23,24)/b13-10+
InChIKeyRQYALPIXORGKPB-JLHYYAGUSA-N
MW336.87 g/mol
LogP6.48
Rot. Bonds3

About 6-(2-chlorophenyl)-2-[(E)-2-cyclohexylethenyl]-1H-benzimidazole

6-(2-chlorophenyl)-2-[(E)-2-cyclohexylethenyl]-1H-benzimidazole (PubChem CID 57392158) has the molecular formula C21H21ClN2 and a molecular weight of 336.87 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-2-[(E)-2-cyclohexylethenyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-(2-chlorophenyl)-2-[(E)-2-cyclohexylethenyl]-1H-benzimidazole
PubChem CID57392158
Molecular FormulaC21H21ClN2
Molecular Weight336.87 g/mol
Exact Mass336.14
IUPAC Name6-(2-chlorophenyl)-2-[(E)-2-cyclohexylethenyl]-1H-benzimidazole
SMILESClc1ccccc1-c1ccc2nc(/C=C/C3CCCCC3)[nH]c2c1
InChIInChI=1S/C21H21ClN2/c22-18-9-5-4-8-17(18)16-11-12-19-20(14-16)24-21(23-19)13-10-15-6-2-1-3-7-15/h4-5,8-15H,1-3,6-7H2,(H,23,24)/b13-10+
InChIKeyRQYALPIXORGKPB-JLHYYAGUSA-N
XLogP6.48
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.87
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-2-[(E)-2-cyclohexylethenyl]-1H-benzimidazole?
The IUPAC name of 6-(2-chlorophenyl)-2-[(E)-2-cyclohexylethenyl]-1H-benzimidazole (CID 57392158) is 6-(2-chlorophenyl)-2-[(E)-2-cyclohexylethenyl]-1H-benzimidazole.
What is the SMILES notation for 6-(2-chlorophenyl)-2-[(E)-2-cyclohexylethenyl]-1H-benzimidazole?
The canonical SMILES for 6-(2-chlorophenyl)-2-[(E)-2-cyclohexylethenyl]-1H-benzimidazole is Clc1ccccc1-c1ccc2nc(/C=C/C3CCCCC3)[nH]c2c1.
What is the InChIKey of 6-(2-chlorophenyl)-2-[(E)-2-cyclohexylethenyl]-1H-benzimidazole?
The InChIKey is RQYALPIXORGKPB-JLHYYAGUSA-N. The full InChI is InChI=1S/C21H21ClN2/c22-18-9-5-4-8-17(18)16-11-12-19-20(14-16)24-21(23-19)13-10-15-6-2-1-3-7-15/h4-5,8-15H,1-3,6-7H2,(H,23,24)/b13-10+.
What are the key properties of 6-(2-chlorophenyl)-2-[(E)-2-cyclohexylethenyl]-1H-benzimidazole?
6-(2-chlorophenyl)-2-[(E)-2-cyclohexylethenyl]-1H-benzimidazole has a molecular weight of 336.87 g/mol, XLogP of 6.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-2-[(E)-2-cyclohexylethenyl]-1H-benzimidazole is sourced from PubChem (CID 57392158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).