2-(2,6-difluorophenyl)-5-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazole

C24H22F2N2O3 — CID 57327928

IUPAC2-(2,6-difluorophenyl)-5-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazole
SMILESCOc1cc(Cn2c(-c3c(F)cccc3F)nc3cc(C)ccc32)cc(OC)c1OC
InChIInChI=1S/C24H22F2N2O3/c1-14-8-9-19-18(10-14)27-24(22-16(25)6-5-7-17(22)26)28(19)13-15-11-20(29-2)23(31-4)21(12-15)30-3/h5-12H,13H2,1-4H3
InChIKeyLUDIEESNHSPSDG-UHFFFAOYSA-N
MW424.45 g/mol
LogP5.36
Rot. Bonds6

About 2-(2,6-difluorophenyl)-5-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazole

2-(2,6-difluorophenyl)-5-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazole (PubChem CID 57327928) has the molecular formula C24H22F2N2O3 and a molecular weight of 424.45 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-5-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-5-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazole
PubChem CID57327928
Molecular FormulaC24H22F2N2O3
Molecular Weight424.45 g/mol
Exact Mass424.16
IUPAC Name2-(2,6-difluorophenyl)-5-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazole
SMILESCOc1cc(Cn2c(-c3c(F)cccc3F)nc3cc(C)ccc32)cc(OC)c1OC
InChIInChI=1S/C24H22F2N2O3/c1-14-8-9-19-18(10-14)27-24(22-16(25)6-5-7-17(22)26)28(19)13-15-11-20(29-2)23(31-4)21(12-15)30-3/h5-12H,13H2,1-4H3
InChIKeyLUDIEESNHSPSDG-UHFFFAOYSA-N
XLogP5.36
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.45
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-5-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazole?
The IUPAC name of 2-(2,6-difluorophenyl)-5-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazole (CID 57327928) is 2-(2,6-difluorophenyl)-5-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-5-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-5-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazole is COc1cc(Cn2c(-c3c(F)cccc3F)nc3cc(C)ccc32)cc(OC)c1OC.
What is the InChIKey of 2-(2,6-difluorophenyl)-5-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazole?
The InChIKey is LUDIEESNHSPSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N2O3/c1-14-8-9-19-18(10-14)27-24(22-16(25)6-5-7-17(22)26)28(19)13-15-11-20(29-2)23(31-4)21(12-15)30-3/h5-12H,13H2,1-4H3.
What are the key properties of 2-(2,6-difluorophenyl)-5-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazole?
2-(2,6-difluorophenyl)-5-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazole has a molecular weight of 424.45 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-5-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazole is sourced from PubChem (CID 57327928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).