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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Related Compounds

CID 5328528
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CID 5329338
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CID 23536770
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CID 134179585
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CID 134179631
CID 134179631
CID 146315994
CID 146315994
CID 44457503
CID 44457503
CID 11290749
CID 11290749
CID 10893577
CID 10893577
CID 10915201
CID 10915201
CID 10948473
CID 10948473
CID 10948528
CID 10948528

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).