6-[4-(trifluoromethyl)phenyl]-1-(3,4,5-trimethoxyphenyl)benzimidazole

C23H19F3N2O3 — CID 166636179

IUPAC6-[4-(trifluoromethyl)phenyl]-1-(3,4,5-trimethoxyphenyl)benzimidazole
SMILESCOc1cc(-n2cnc3ccc(-c4ccc(C(F)(F)F)cc4)cc32)cc(OC)c1OC
InChIInChI=1S/C23H19F3N2O3/c1-29-20-11-17(12-21(30-2)22(20)31-3)28-13-27-18-9-6-15(10-19(18)28)14-4-7-16(8-5-14)23(24,25)26/h4-13H,1-3H3
InChIKeyILAQAPHHXDPPKU-UHFFFAOYSA-N
MW428.41 g/mol
LogP5.74
Rot. Bonds5

About 6-[4-(trifluoromethyl)phenyl]-1-(3,4,5-trimethoxyphenyl)benzimidazole

6-[4-(trifluoromethyl)phenyl]-1-(3,4,5-trimethoxyphenyl)benzimidazole (PubChem CID 166636179) has the molecular formula C23H19F3N2O3 and a molecular weight of 428.41 g/mol. Its IUPAC name is 6-[4-(trifluoromethyl)phenyl]-1-(3,4,5-trimethoxyphenyl)benzimidazole.

Molecular Properties

Compound Name6-[4-(trifluoromethyl)phenyl]-1-(3,4,5-trimethoxyphenyl)benzimidazole
PubChem CID166636179
Molecular FormulaC23H19F3N2O3
Molecular Weight428.41 g/mol
Exact Mass428.13
IUPAC Name6-[4-(trifluoromethyl)phenyl]-1-(3,4,5-trimethoxyphenyl)benzimidazole
SMILESCOc1cc(-n2cnc3ccc(-c4ccc(C(F)(F)F)cc4)cc32)cc(OC)c1OC
InChIInChI=1S/C23H19F3N2O3/c1-29-20-11-17(12-21(30-2)22(20)31-3)28-13-27-18-9-6-15(10-19(18)28)14-4-7-16(8-5-14)23(24,25)26/h4-13H,1-3H3
InChIKeyILAQAPHHXDPPKU-UHFFFAOYSA-N
XLogP5.74
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.41
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(trifluoromethyl)phenyl]-1-(3,4,5-trimethoxyphenyl)benzimidazole?
The IUPAC name of 6-[4-(trifluoromethyl)phenyl]-1-(3,4,5-trimethoxyphenyl)benzimidazole (CID 166636179) is 6-[4-(trifluoromethyl)phenyl]-1-(3,4,5-trimethoxyphenyl)benzimidazole.
What is the SMILES notation for 6-[4-(trifluoromethyl)phenyl]-1-(3,4,5-trimethoxyphenyl)benzimidazole?
The canonical SMILES for 6-[4-(trifluoromethyl)phenyl]-1-(3,4,5-trimethoxyphenyl)benzimidazole is COc1cc(-n2cnc3ccc(-c4ccc(C(F)(F)F)cc4)cc32)cc(OC)c1OC.
What is the InChIKey of 6-[4-(trifluoromethyl)phenyl]-1-(3,4,5-trimethoxyphenyl)benzimidazole?
The InChIKey is ILAQAPHHXDPPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O3/c1-29-20-11-17(12-21(30-2)22(20)31-3)28-13-27-18-9-6-15(10-19(18)28)14-4-7-16(8-5-14)23(24,25)26/h4-13H,1-3H3.
What are the key properties of 6-[4-(trifluoromethyl)phenyl]-1-(3,4,5-trimethoxyphenyl)benzimidazole?
6-[4-(trifluoromethyl)phenyl]-1-(3,4,5-trimethoxyphenyl)benzimidazole has a molecular weight of 428.41 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(trifluoromethyl)phenyl]-1-(3,4,5-trimethoxyphenyl)benzimidazole is sourced from PubChem (CID 166636179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).