3-[3-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]phenol

C22H20N2O4 — CID 166628598

IUPAC3-[3-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]phenol
SMILESCOc1cc(-n2cnc3ccc(-c4cccc(O)c4)cc32)cc(OC)c1OC
InChIInChI=1S/C22H20N2O4/c1-26-20-11-16(12-21(27-2)22(20)28-3)24-13-23-18-8-7-15(10-19(18)24)14-5-4-6-17(25)9-14/h4-13,25H,1-3H3
InChIKeyFGXKFLJJLLMHBY-UHFFFAOYSA-N
MW376.41 g/mol
LogP4.42
Rot. Bonds5

About 3-[3-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]phenol

3-[3-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]phenol (PubChem CID 166628598) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 3-[3-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]phenol.

Molecular Properties

Compound Name3-[3-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]phenol
PubChem CID166628598
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name3-[3-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]phenol
SMILESCOc1cc(-n2cnc3ccc(-c4cccc(O)c4)cc32)cc(OC)c1OC
InChIInChI=1S/C22H20N2O4/c1-26-20-11-16(12-21(27-2)22(20)28-3)24-13-23-18-8-7-15(10-19(18)24)14-5-4-6-17(25)9-14/h4-13,25H,1-3H3
InChIKeyFGXKFLJJLLMHBY-UHFFFAOYSA-N
XLogP4.42
TPSA65.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[3-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]phenol?
The IUPAC name of 3-[3-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]phenol (CID 166628598) is 3-[3-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]phenol.
What is the SMILES notation for 3-[3-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]phenol?
The canonical SMILES for 3-[3-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]phenol is COc1cc(-n2cnc3ccc(-c4cccc(O)c4)cc32)cc(OC)c1OC.
What is the InChIKey of 3-[3-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]phenol?
The InChIKey is FGXKFLJJLLMHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-26-20-11-16(12-21(27-2)22(20)28-3)24-13-23-18-8-7-15(10-19(18)24)14-5-4-6-17(25)9-14/h4-13,25H,1-3H3.
What are the key properties of 3-[3-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]phenol?
3-[3-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]phenol has a molecular weight of 376.41 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]phenol is sourced from PubChem (CID 166628598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).