4-[4-[(3-hydroxy-4-methoxyphenyl)methoxy]-3,5-dimethoxyphenyl]-1,3-dihydrobenzimidazol-2-one

C23H22N2O6 — CID 176895350

IUPAC4-[4-[(3-hydroxy-4-methoxyphenyl)methoxy]-3,5-dimethoxyphenyl]-1,3-dihydrobenzimidazol-2-one
SMILESCOc1ccc(COc2c(OC)cc(-c3cccc4[nH]c(=O)[nH]c34)cc2OC)cc1O
InChIInChI=1S/C23H22N2O6/c1-28-18-8-7-13(9-17(18)26)12-31-22-19(29-2)10-14(11-20(22)30-3)15-5-4-6-16-21(15)25-23(27)24-16/h4-11,26H,12H2,1-3H3,(H2,24,25,27)
InChIKeyGRYVBGFPKMNOAF-UHFFFAOYSA-N
MW422.44 g/mol
LogP3.83
Rot. Bonds7

About 4-[4-[(3-hydroxy-4-methoxyphenyl)methoxy]-3,5-dimethoxyphenyl]-1,3-dihydrobenzimidazol-2-one

4-[4-[(3-hydroxy-4-methoxyphenyl)methoxy]-3,5-dimethoxyphenyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 176895350) has the molecular formula C23H22N2O6 and a molecular weight of 422.44 g/mol. Its IUPAC name is 4-[4-[(3-hydroxy-4-methoxyphenyl)methoxy]-3,5-dimethoxyphenyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name4-[4-[(3-hydroxy-4-methoxyphenyl)methoxy]-3,5-dimethoxyphenyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID176895350
Molecular FormulaC23H22N2O6
Molecular Weight422.44 g/mol
Exact Mass422.15
IUPAC Name4-[4-[(3-hydroxy-4-methoxyphenyl)methoxy]-3,5-dimethoxyphenyl]-1,3-dihydrobenzimidazol-2-one
SMILESCOc1ccc(COc2c(OC)cc(-c3cccc4[nH]c(=O)[nH]c34)cc2OC)cc1O
InChIInChI=1S/C23H22N2O6/c1-28-18-8-7-13(9-17(18)26)12-31-22-19(29-2)10-14(11-20(22)30-3)15-5-4-6-16-21(15)25-23(27)24-16/h4-11,26H,12H2,1-3H3,(H2,24,25,27)
InChIKeyGRYVBGFPKMNOAF-UHFFFAOYSA-N
XLogP3.83
TPSA105.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-hydroxy-4-methoxyphenyl)methoxy]-3,5-dimethoxyphenyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 4-[4-[(3-hydroxy-4-methoxyphenyl)methoxy]-3,5-dimethoxyphenyl]-1,3-dihydrobenzimidazol-2-one (CID 176895350) is 4-[4-[(3-hydroxy-4-methoxyphenyl)methoxy]-3,5-dimethoxyphenyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 4-[4-[(3-hydroxy-4-methoxyphenyl)methoxy]-3,5-dimethoxyphenyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 4-[4-[(3-hydroxy-4-methoxyphenyl)methoxy]-3,5-dimethoxyphenyl]-1,3-dihydrobenzimidazol-2-one is COc1ccc(COc2c(OC)cc(-c3cccc4[nH]c(=O)[nH]c34)cc2OC)cc1O.
What is the InChIKey of 4-[4-[(3-hydroxy-4-methoxyphenyl)methoxy]-3,5-dimethoxyphenyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is GRYVBGFPKMNOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O6/c1-28-18-8-7-13(9-17(18)26)12-31-22-19(29-2)10-14(11-20(22)30-3)15-5-4-6-16-21(15)25-23(27)24-16/h4-11,26H,12H2,1-3H3,(H2,24,25,27).
What are the key properties of 4-[4-[(3-hydroxy-4-methoxyphenyl)methoxy]-3,5-dimethoxyphenyl]-1,3-dihydrobenzimidazol-2-one?
4-[4-[(3-hydroxy-4-methoxyphenyl)methoxy]-3,5-dimethoxyphenyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 422.44 g/mol, XLogP of 3.83, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-hydroxy-4-methoxyphenyl)methoxy]-3,5-dimethoxyphenyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 176895350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).