6-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one

C22H21N3O6 — CID 155532287

IUPAC6-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESCOc1ccc(-c2cc3c(cn2)[nH]c(=O)n3-c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C22H21N3O6/c1-28-18-6-5-12(7-17(18)26)14-10-16-15(11-23-14)24-22(27)25(16)13-8-19(29-2)21(31-4)20(9-13)30-3/h5-11,26H,1-4H3,(H,24,27)
InChIKeyVLWDOBMSFXVYNF-UHFFFAOYSA-N
MW423.43 g/mol
LogP3.12
Rot. Bonds6

About 6-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one

6-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one (PubChem CID 155532287) has the molecular formula C22H21N3O6 and a molecular weight of 423.43 g/mol. Its IUPAC name is 6-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name6-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one
PubChem CID155532287
Molecular FormulaC22H21N3O6
Molecular Weight423.43 g/mol
Exact Mass423.14
IUPAC Name6-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESCOc1ccc(-c2cc3c(cn2)[nH]c(=O)n3-c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C22H21N3O6/c1-28-18-6-5-12(7-17(18)26)14-10-16-15(11-23-14)24-22(27)25(16)13-8-19(29-2)21(31-4)20(9-13)30-3/h5-11,26H,1-4H3,(H,24,27)
InChIKeyVLWDOBMSFXVYNF-UHFFFAOYSA-N
XLogP3.12
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 6-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one (CID 155532287) is 6-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 6-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 6-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one is COc1ccc(-c2cc3c(cn2)[nH]c(=O)n3-c2cc(OC)c(OC)c(OC)c2)cc1O.
What is the InChIKey of 6-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is VLWDOBMSFXVYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O6/c1-28-18-6-5-12(7-17(18)26)14-10-16-15(11-23-14)24-22(27)25(16)13-8-19(29-2)21(31-4)20(9-13)30-3/h5-11,26H,1-4H3,(H,24,27).
What are the key properties of 6-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one?
6-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 423.43 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 155532287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).