6-(3-fluoro-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole

C23H21FN2O4 — CID 166625780

IUPAC6-(3-fluoro-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole
SMILESCOc1ccc(-c2ccc3ncn(-c4cc(OC)c(OC)c(OC)c4)c3c2)cc1F
InChIInChI=1S/C23H21FN2O4/c1-27-20-8-6-14(9-17(20)24)15-5-7-18-19(10-15)26(13-25-18)16-11-21(28-2)23(30-4)22(12-16)29-3/h5-13H,1-4H3
InChIKeyBWZDVHRMYPDAQB-UHFFFAOYSA-N
MW408.43 g/mol
LogP4.87
Rot. Bonds6

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

6-(3-fluoro-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole (PubChem CID 166625780) has the molecular formula C23H21FN2O4 and a molecular weight of 408.43 g/mol. Its IUPAC name is 6-(3-fluoro-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole.

Molecular Properties

Compound Name6-(3-fluoro-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole
PubChem CID166625780
Molecular FormulaC23H21FN2O4
Molecular Weight408.43 g/mol
Exact Mass408.15
IUPAC Name6-(3-fluoro-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole
SMILESCOc1ccc(-c2ccc3ncn(-c4cc(OC)c(OC)c(OC)c4)c3c2)cc1F
InChIInChI=1S/C23H21FN2O4/c1-27-20-8-6-14(9-17(20)24)15-5-7-18-19(10-15)26(13-25-18)16-11-21(28-2)23(30-4)22(12-16)29-3/h5-13H,1-4H3
InChIKeyBWZDVHRMYPDAQB-UHFFFAOYSA-N
XLogP4.87
TPSA54.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole?
The IUPAC name of 6-(3-fluoro-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole (CID 166625780) is 6-(3-fluoro-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole.
What is the SMILES notation for 6-(3-fluoro-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole?
The canonical SMILES for 6-(3-fluoro-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole is COc1ccc(-c2ccc3ncn(-c4cc(OC)c(OC)c(OC)c4)c3c2)cc1F.
What is the InChIKey of 6-(3-fluoro-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole?
The InChIKey is BWZDVHRMYPDAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O4/c1-27-20-8-6-14(9-17(20)24)15-5-7-18-19(10-15)26(13-25-18)16-11-21(28-2)23(30-4)22(12-16)29-3/h5-13H,1-4H3.
What are the key properties of 6-(3-fluoro-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole?
6-(3-fluoro-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole has a molecular weight of 408.43 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole is sourced from PubChem (CID 166625780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).