6-(4-chlorophenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole

C22H19ClN2O3 — CID 166635607

IUPAC6-(4-chlorophenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole
SMILESCOc1cc(-n2cnc3ccc(-c4ccc(Cl)cc4)cc32)cc(OC)c1OC
InChIInChI=1S/C22H19ClN2O3/c1-26-20-11-17(12-21(27-2)22(20)28-3)25-13-24-18-9-6-15(10-19(18)25)14-4-7-16(23)8-5-14/h4-13H,1-3H3
InChIKeyOOSYJGTXTFGPBS-UHFFFAOYSA-N
MW394.86 g/mol
LogP5.37
Rot. Bonds5

About 6-(4-chlorophenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole

6-(4-chlorophenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole (PubChem CID 166635607) has the molecular formula C22H19ClN2O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole.

Molecular Properties

Compound Name6-(4-chlorophenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole
PubChem CID166635607
Molecular FormulaC22H19ClN2O3
Molecular Weight394.86 g/mol
Exact Mass394.11
IUPAC Name6-(4-chlorophenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole
SMILESCOc1cc(-n2cnc3ccc(-c4ccc(Cl)cc4)cc32)cc(OC)c1OC
InChIInChI=1S/C22H19ClN2O3/c1-26-20-11-17(12-21(27-2)22(20)28-3)25-13-24-18-9-6-15(10-19(18)25)14-4-7-16(23)8-5-14/h4-13H,1-3H3
InChIKeyOOSYJGTXTFGPBS-UHFFFAOYSA-N
XLogP5.37
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.86
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole?
The IUPAC name of 6-(4-chlorophenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole (CID 166635607) is 6-(4-chlorophenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole.
What is the SMILES notation for 6-(4-chlorophenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole?
The canonical SMILES for 6-(4-chlorophenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole is COc1cc(-n2cnc3ccc(-c4ccc(Cl)cc4)cc32)cc(OC)c1OC.
What is the InChIKey of 6-(4-chlorophenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole?
The InChIKey is OOSYJGTXTFGPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3/c1-26-20-11-17(12-21(27-2)22(20)28-3)25-13-24-18-9-6-15(10-19(18)25)14-4-7-16(23)8-5-14/h4-13H,1-3H3.
What are the key properties of 6-(4-chlorophenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole?
6-(4-chlorophenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole has a molecular weight of 394.86 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole is sourced from PubChem (CID 166635607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).