methyl 3-[[6-[3-(dimethylamino)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]benzoate

C25H25N3O4 — CID 68661388

IUPACmethyl 3-[[6-[3-(dimethylamino)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]benzoate
SMILESCOC(=O)c1cccc(OCc2nc3ccc(Oc4cccc(N(C)C)c4)cc3n2C)c1
InChIInChI=1S/C25H25N3O4/c1-27(2)18-8-6-10-20(14-18)32-21-11-12-22-23(15-21)28(3)24(26-22)16-31-19-9-5-7-17(13-19)25(29)30-4/h5-15H,16H2,1-4H3
InChIKeyJEEXBZKARSPVNF-UHFFFAOYSA-N
MW431.49 g/mol
LogP4.80
Rot. Bonds7

About methyl 3-[[6-[3-(dimethylamino)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]benzoate

methyl 3-[[6-[3-(dimethylamino)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]benzoate (PubChem CID 68661388) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is methyl 3-[[6-[3-(dimethylamino)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]benzoate.

Molecular Properties

Compound Namemethyl 3-[[6-[3-(dimethylamino)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]benzoate
PubChem CID68661388
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Namemethyl 3-[[6-[3-(dimethylamino)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]benzoate
SMILESCOC(=O)c1cccc(OCc2nc3ccc(Oc4cccc(N(C)C)c4)cc3n2C)c1
InChIInChI=1S/C25H25N3O4/c1-27(2)18-8-6-10-20(14-18)32-21-11-12-22-23(15-21)28(3)24(26-22)16-31-19-9-5-7-17(13-19)25(29)30-4/h5-15H,16H2,1-4H3
InChIKeyJEEXBZKARSPVNF-UHFFFAOYSA-N
XLogP4.80
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 3-[[6-[3-(dimethylamino)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]benzoate with MolForge

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Related Compounds

methyl 3-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]benzoate
CID 56933238
methyl 3-[[6-(4-fluoro-3-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoate
CID 68662092
methyl 3-[[6-(3-methoxy-4-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoate
CID 68661421
methyl 3-[[1-methyl-6-(2-methylphenoxy)benzimidazol-2-yl]methoxy]benzoate
CID 68661526
methyl 3-[[6-[(5-bromo-3-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]methoxy]benzoate
CID 66705945
methyl 3-[[6-[(3,5-dibromo-2-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]methoxy]benzoate
CID 66705863
methyl 3-[[6-[(4-methoxy-3,5-dimethyl-2-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]methoxy]benzoate
CID 66705802
methyl 3-[[6-[(5-bromo-6-chloro-2-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]methoxy]benzoate
CID 86661626
3-[[6-(3-methoxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 68661491
3-[[6-(1,3-benzodioxol-5-yloxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 68662055
3-[[6-(3-fluoro-4-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 68662136
3-[[6-(3-fluoro-5-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 68661621

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[6-[3-(dimethylamino)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]benzoate?
The IUPAC name of methyl 3-[[6-[3-(dimethylamino)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]benzoate (CID 68661388) is methyl 3-[[6-[3-(dimethylamino)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]benzoate.
What is the SMILES notation for methyl 3-[[6-[3-(dimethylamino)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]benzoate?
The canonical SMILES for methyl 3-[[6-[3-(dimethylamino)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]benzoate is COC(=O)c1cccc(OCc2nc3ccc(Oc4cccc(N(C)C)c4)cc3n2C)c1.
What is the InChIKey of methyl 3-[[6-[3-(dimethylamino)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]benzoate?
The InChIKey is JEEXBZKARSPVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-27(2)18-8-6-10-20(14-18)32-21-11-12-22-23(15-21)28(3)24(26-22)16-31-19-9-5-7-17(13-19)25(29)30-4/h5-15H,16H2,1-4H3.
What are the key properties of methyl 3-[[6-[3-(dimethylamino)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]benzoate?
methyl 3-[[6-[3-(dimethylamino)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]benzoate has a molecular weight of 431.49 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[6-[3-(dimethylamino)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]benzoate is sourced from PubChem (CID 68661388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).