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

C23H22N2O4 — CID 166632567

IUPAC6-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole
SMILESCOc1ccc(-c2ccc3ncn(-c4cc(OC)c(OC)c(OC)c4)c3c2)cc1
InChIInChI=1S/C23H22N2O4/c1-26-18-8-5-15(6-9-18)16-7-10-19-20(11-16)25(14-24-19)17-12-21(27-2)23(29-4)22(13-17)28-3/h5-14H,1-4H3
InChIKeyQEJRGGFQPYNKDP-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.73
Rot. Bonds6

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

6-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole (PubChem CID 166632567) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole
PubChem CID166632567
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name6-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole
SMILESCOc1ccc(-c2ccc3ncn(-c4cc(OC)c(OC)c(OC)c4)c3c2)cc1
InChIInChI=1S/C23H22N2O4/c1-26-18-8-5-15(6-9-18)16-7-10-19-20(11-16)25(14-24-19)17-12-21(27-2)23(29-4)22(13-17)28-3/h5-14H,1-4H3
InChIKeyQEJRGGFQPYNKDP-UHFFFAOYSA-N
XLogP4.73
TPSA54.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole?
The IUPAC name of 6-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole (CID 166632567) is 6-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole.
What is the SMILES notation for 6-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole?
The canonical SMILES for 6-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole is COc1ccc(-c2ccc3ncn(-c4cc(OC)c(OC)c(OC)c4)c3c2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole?
The InChIKey is QEJRGGFQPYNKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-26-18-8-5-15(6-9-18)16-7-10-19-20(11-16)25(14-24-19)17-12-21(27-2)23(29-4)22(13-17)28-3/h5-14H,1-4H3.
What are the key properties of 6-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole?
6-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole has a molecular weight of 390.44 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole is sourced from PubChem (CID 166632567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).