methyl 3-[[6-(3-methoxy-4-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoate

C25H24N2O5 — CID 68661421

IUPACmethyl 3-[[6-(3-methoxy-4-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoate
SMILESCOC(=O)c1cccc(OCc2nc3ccc(Oc4ccc(C)c(OC)c4)cc3n2C)c1
InChIInChI=1S/C25H24N2O5/c1-16-8-9-20(14-23(16)29-3)32-19-10-11-21-22(13-19)27(2)24(26-21)15-31-18-7-5-6-17(12-18)25(28)30-4/h5-14H,15H2,1-4H3
InChIKeyBPJVBTZGZVSYGB-UHFFFAOYSA-N
MW432.48 g/mol
LogP5.05
Rot. Bonds7

About methyl 3-[[6-(3-methoxy-4-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoate

methyl 3-[[6-(3-methoxy-4-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoate (PubChem CID 68661421) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is methyl 3-[[6-(3-methoxy-4-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoate.

Molecular Properties

Compound Namemethyl 3-[[6-(3-methoxy-4-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoate
PubChem CID68661421
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC Namemethyl 3-[[6-(3-methoxy-4-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoate
SMILESCOC(=O)c1cccc(OCc2nc3ccc(Oc4ccc(C)c(OC)c4)cc3n2C)c1
InChIInChI=1S/C25H24N2O5/c1-16-8-9-20(14-23(16)29-3)32-19-10-11-21-22(13-19)27(2)24(26-21)15-31-18-7-5-6-17(12-18)25(28)30-4/h5-14H,15H2,1-4H3
InChIKeyBPJVBTZGZVSYGB-UHFFFAOYSA-N
XLogP5.05
TPSA71.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.48
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 3-[[6-(3-methoxy-4-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoate with MolForge

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Related Compounds

methyl 3-[[1-methyl-6-(2-methylphenoxy)benzimidazol-2-yl]methoxy]benzoate
CID 68661526
methyl 3-[[6-(4-fluoro-3-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoate
CID 68662092
methyl 3-[[6-[(4-methoxy-3,5-dimethyl-2-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]methoxy]benzoate
CID 66705802
methyl 3-[[6-[3-(dimethylamino)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]benzoate
CID 68661388
3-[[6-(3-methoxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 68661491
methyl 3-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]benzoate
CID 56933238
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
3-[[6-(3-fluoro-4-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 68662136
methyl 3-[[6-[(5-bromo-6-chloro-2-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]methoxy]benzoate
CID 86661626
methyl 2-methyl-3-[[1-methyl-6-(3-methylphenoxy)benzimidazol-2-yl]methoxy]benzoate
CID 68970988
3-[[6-(4-fluoro-2-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 68662065

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[6-(3-methoxy-4-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoate?
The IUPAC name of methyl 3-[[6-(3-methoxy-4-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoate (CID 68661421) is methyl 3-[[6-(3-methoxy-4-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoate.
What is the SMILES notation for methyl 3-[[6-(3-methoxy-4-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoate?
The canonical SMILES for methyl 3-[[6-(3-methoxy-4-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoate is COC(=O)c1cccc(OCc2nc3ccc(Oc4ccc(C)c(OC)c4)cc3n2C)c1.
What is the InChIKey of methyl 3-[[6-(3-methoxy-4-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoate?
The InChIKey is BPJVBTZGZVSYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5/c1-16-8-9-20(14-23(16)29-3)32-19-10-11-21-22(13-19)27(2)24(26-21)15-31-18-7-5-6-17(12-18)25(28)30-4/h5-14H,15H2,1-4H3.
What are the key properties of methyl 3-[[6-(3-methoxy-4-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoate?
methyl 3-[[6-(3-methoxy-4-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoate has a molecular weight of 432.48 g/mol, XLogP of 5.05, 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-methoxy-4-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoate is sourced from PubChem (CID 68661421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).