6-(2-chloro-6-fluorophenyl)-2-(2-cyclohexylethenyl)-1H-benzimidazole

C21H20ClFN2 — CID 67528444

IUPAC6-(2-chloro-6-fluorophenyl)-2-(2-cyclohexylethenyl)-1H-benzimidazole
SMILESFc1cccc(Cl)c1-c1ccc2nc(C=CC3CCCCC3)[nH]c2c1
InChIInChI=1S/C21H20ClFN2/c22-16-7-4-8-17(23)21(16)15-10-11-18-19(13-15)25-20(24-18)12-9-14-5-2-1-3-6-14/h4,7-14H,1-3,5-6H2,(H,24,25)
InChIKeySKKQBMRDNHOKSR-UHFFFAOYSA-N
MW354.86 g/mol
LogP6.62
Rot. Bonds3

About 6-(2-chloro-6-fluorophenyl)-2-(2-cyclohexylethenyl)-1H-benzimidazole

6-(2-chloro-6-fluorophenyl)-2-(2-cyclohexylethenyl)-1H-benzimidazole (PubChem CID 67528444) has the molecular formula C21H20ClFN2 and a molecular weight of 354.86 g/mol. Its IUPAC name is 6-(2-chloro-6-fluorophenyl)-2-(2-cyclohexylethenyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-(2-chloro-6-fluorophenyl)-2-(2-cyclohexylethenyl)-1H-benzimidazole
PubChem CID67528444
Molecular FormulaC21H20ClFN2
Molecular Weight354.86 g/mol
Exact Mass354.13
IUPAC Name6-(2-chloro-6-fluorophenyl)-2-(2-cyclohexylethenyl)-1H-benzimidazole
SMILESFc1cccc(Cl)c1-c1ccc2nc(C=CC3CCCCC3)[nH]c2c1
InChIInChI=1S/C21H20ClFN2/c22-16-7-4-8-17(23)21(16)15-10-11-18-19(13-15)25-20(24-18)12-9-14-5-2-1-3-6-14/h4,7-14H,1-3,5-6H2,(H,24,25)
InChIKeySKKQBMRDNHOKSR-UHFFFAOYSA-N
XLogP6.62
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.86
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-fluorophenyl)-2-(2-cyclohexylethenyl)-1H-benzimidazole?
The IUPAC name of 6-(2-chloro-6-fluorophenyl)-2-(2-cyclohexylethenyl)-1H-benzimidazole (CID 67528444) is 6-(2-chloro-6-fluorophenyl)-2-(2-cyclohexylethenyl)-1H-benzimidazole.
What is the SMILES notation for 6-(2-chloro-6-fluorophenyl)-2-(2-cyclohexylethenyl)-1H-benzimidazole?
The canonical SMILES for 6-(2-chloro-6-fluorophenyl)-2-(2-cyclohexylethenyl)-1H-benzimidazole is Fc1cccc(Cl)c1-c1ccc2nc(C=CC3CCCCC3)[nH]c2c1.
What is the InChIKey of 6-(2-chloro-6-fluorophenyl)-2-(2-cyclohexylethenyl)-1H-benzimidazole?
The InChIKey is SKKQBMRDNHOKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN2/c22-16-7-4-8-17(23)21(16)15-10-11-18-19(13-15)25-20(24-18)12-9-14-5-2-1-3-6-14/h4,7-14H,1-3,5-6H2,(H,24,25).
What are the key properties of 6-(2-chloro-6-fluorophenyl)-2-(2-cyclohexylethenyl)-1H-benzimidazole?
6-(2-chloro-6-fluorophenyl)-2-(2-cyclohexylethenyl)-1H-benzimidazole has a molecular weight of 354.86 g/mol, XLogP of 6.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-6-fluorophenyl)-2-(2-cyclohexylethenyl)-1H-benzimidazole is sourced from PubChem (CID 67528444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).