5-[[2-(3-hydroxy-4-methoxyphenyl)benzimidazol-1-yl]methyl]-2-methoxyphenol

C22H20N2O4 — CID 1072663

IUPAC5-[[2-(3-hydroxy-4-methoxyphenyl)benzimidazol-1-yl]methyl]-2-methoxyphenol
SMILESCOc1ccc(Cn2c(-c3ccc(OC)c(O)c3)nc3ccccc32)cc1O
InChIInChI=1S/C22H20N2O4/c1-27-20-9-7-14(11-18(20)25)13-24-17-6-4-3-5-16(17)23-22(24)15-8-10-21(28-2)19(26)12-15/h3-12,25-26H,13H2,1-2H3
InChIKeyJOYYDXRDTYEFGR-UHFFFAOYSA-N
MW376.41 g/mol
LogP4.18
Rot. Bonds5

About 5-[[2-(3-hydroxy-4-methoxyphenyl)benzimidazol-1-yl]methyl]-2-methoxyphenol

5-[[2-(3-hydroxy-4-methoxyphenyl)benzimidazol-1-yl]methyl]-2-methoxyphenol (PubChem CID 1072663) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 5-[[2-(3-hydroxy-4-methoxyphenyl)benzimidazol-1-yl]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[[2-(3-hydroxy-4-methoxyphenyl)benzimidazol-1-yl]methyl]-2-methoxyphenol
PubChem CID1072663
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name5-[[2-(3-hydroxy-4-methoxyphenyl)benzimidazol-1-yl]methyl]-2-methoxyphenol
SMILESCOc1ccc(Cn2c(-c3ccc(OC)c(O)c3)nc3ccccc32)cc1O
InChIInChI=1S/C22H20N2O4/c1-27-20-9-7-14(11-18(20)25)13-24-17-6-4-3-5-16(17)23-22(24)15-8-10-21(28-2)19(26)12-15/h3-12,25-26H,13H2,1-2H3
InChIKeyJOYYDXRDTYEFGR-UHFFFAOYSA-N
XLogP4.18
TPSA76.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3-hydroxy-4-methoxyphenyl)benzimidazol-1-yl]methyl]-2-methoxyphenol?
The IUPAC name of 5-[[2-(3-hydroxy-4-methoxyphenyl)benzimidazol-1-yl]methyl]-2-methoxyphenol (CID 1072663) is 5-[[2-(3-hydroxy-4-methoxyphenyl)benzimidazol-1-yl]methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[[2-(3-hydroxy-4-methoxyphenyl)benzimidazol-1-yl]methyl]-2-methoxyphenol?
The canonical SMILES for 5-[[2-(3-hydroxy-4-methoxyphenyl)benzimidazol-1-yl]methyl]-2-methoxyphenol is COc1ccc(Cn2c(-c3ccc(OC)c(O)c3)nc3ccccc32)cc1O.
What is the InChIKey of 5-[[2-(3-hydroxy-4-methoxyphenyl)benzimidazol-1-yl]methyl]-2-methoxyphenol?
The InChIKey is JOYYDXRDTYEFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-27-20-9-7-14(11-18(20)25)13-24-17-6-4-3-5-16(17)23-22(24)15-8-10-21(28-2)19(26)12-15/h3-12,25-26H,13H2,1-2H3.
What are the key properties of 5-[[2-(3-hydroxy-4-methoxyphenyl)benzimidazol-1-yl]methyl]-2-methoxyphenol?
5-[[2-(3-hydroxy-4-methoxyphenyl)benzimidazol-1-yl]methyl]-2-methoxyphenol has a molecular weight of 376.41 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3-hydroxy-4-methoxyphenyl)benzimidazol-1-yl]methyl]-2-methoxyphenol is sourced from PubChem (CID 1072663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).