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

C17H16N2O4 — CID 56933238

IUPACmethyl 3-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]benzoate
SMILESCOC(=O)c1cccc(OCc2nc3ccc(O)cc3n2C)c1
InChIInChI=1S/C17H16N2O4/c1-19-15-9-12(20)6-7-14(15)18-16(19)10-23-13-5-3-4-11(8-13)17(21)22-2/h3-9,20H,10H2,1-2H3
InChIKeyGRYCECWRNWSKSS-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.64
Rot. Bonds4

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

methyl 3-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]benzoate (PubChem CID 56933238) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is methyl 3-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]benzoate.

Molecular Properties

Compound Namemethyl 3-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]benzoate
PubChem CID56933238
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Namemethyl 3-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]benzoate
SMILESCOC(=O)c1cccc(OCc2nc3ccc(O)cc3n2C)c1
InChIInChI=1S/C17H16N2O4/c1-19-15-9-12(20)6-7-14(15)18-16(19)10-23-13-5-3-4-11(8-13)17(21)22-2/h3-9,20H,10H2,1-2H3
InChIKeyGRYCECWRNWSKSS-UHFFFAOYSA-N
XLogP2.64
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[[6-[3-(dimethylamino)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]benzoate
CID 68661388
methyl 3-[[1-methyl-6-(2-methylphenoxy)benzimidazol-2-yl]methoxy]benzoate
CID 68661526
methyl 3-[[6-(3-methoxy-4-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoate
CID 68661421
methyl 3-[[6-(4-fluoro-3-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoate
CID 68662092
methyl 3-[[6-[(3,5-dibromo-2-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]methoxy]benzoate
CID 66705863
methyl 3-[[6-[(5-bromo-3-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]methoxy]benzoate
CID 66705945
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
1-[3-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]pyrrole-2,5-diol
CID 54045583
3-[[6-(3-fluoro-4-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 68662136
3-[[1-methyl-6-[(2-methyl-3-pyridinyl)oxy]benzimidazol-2-yl]methoxy]benzoic acid
CID 162643736

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]benzoate?
The IUPAC name of methyl 3-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]benzoate (CID 56933238) is methyl 3-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]benzoate.
What is the SMILES notation for methyl 3-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]benzoate?
The canonical SMILES for methyl 3-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]benzoate is COC(=O)c1cccc(OCc2nc3ccc(O)cc3n2C)c1.
What is the InChIKey of methyl 3-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]benzoate?
The InChIKey is GRYCECWRNWSKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-19-15-9-12(20)6-7-14(15)18-16(19)10-23-13-5-3-4-11(8-13)17(21)22-2/h3-9,20H,10H2,1-2H3.
What are the key properties of methyl 3-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]benzoate?
methyl 3-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]benzoate has a molecular weight of 312.33 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]benzoate is sourced from PubChem (CID 56933238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).