methyl 7-methoxy-2-[(2-methoxyphenoxy)methyl]-1H-benzimidazole-4-carboxylate

C18H18N2O5 — CID 22663333

IUPACmethyl 7-methoxy-2-[(2-methoxyphenoxy)methyl]-1H-benzimidazole-4-carboxylate
SMILESCOC(=O)c1ccc(OC)c2[nH]c(COc3ccccc3OC)nc12
InChIInChI=1S/C18H18N2O5/c1-22-12-6-4-5-7-13(12)25-10-15-19-16-11(18(21)24-3)8-9-14(23-2)17(16)20-15/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyVSAYWBFCSJVYCY-UHFFFAOYSA-N
MW342.35 g/mol
LogP2.95
Rot. Bonds6

About methyl 7-methoxy-2-[(2-methoxyphenoxy)methyl]-1H-benzimidazole-4-carboxylate

methyl 7-methoxy-2-[(2-methoxyphenoxy)methyl]-1H-benzimidazole-4-carboxylate (PubChem CID 22663333) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is methyl 7-methoxy-2-[(2-methoxyphenoxy)methyl]-1H-benzimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 7-methoxy-2-[(2-methoxyphenoxy)methyl]-1H-benzimidazole-4-carboxylate
PubChem CID22663333
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Namemethyl 7-methoxy-2-[(2-methoxyphenoxy)methyl]-1H-benzimidazole-4-carboxylate
SMILESCOC(=O)c1ccc(OC)c2[nH]c(COc3ccccc3OC)nc12
InChIInChI=1S/C18H18N2O5/c1-22-12-6-4-5-7-13(12)25-10-15-19-16-11(18(21)24-3)8-9-14(23-2)17(16)20-15/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyVSAYWBFCSJVYCY-UHFFFAOYSA-N
XLogP2.95
TPSA82.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyano-2-[7-methoxy-2-[(2-methoxyphenoxy)methyl]-1H-benzimidazol-4-yl]butanoic acid
CID 67644685
methyl 7-methoxy-2-phenyl-1H-benzimidazole-4-carboxylate
CID 22663468
methyl 7-methoxy-2-propan-2-yl-1H-benzimidazole-4-carboxylate
CID 22663368
methyl 2-(1,2-diphenylethyl)-7-methoxy-1H-benzimidazole-4-carboxylate
CID 22663242
methyl 2-[(2-methoxyphenoxy)methyl]benzoate
CID 82975589
methyl 7-methoxy-1H-benzimidazole-4-carboxylate
CID 22663455
tert-butyl 3-[[7-methoxy-2-[(2-methoxyphenoxy)methyl]-1H-benzimidazol-4-yl]-pyridin-3-ylmethyl]-2-oxopyrrolidine-1-carboxylate
CID 54061521
2-ethyl-4,7-dimethoxy-1H-benzimidazole
CID 67341831
2-(2H-benzotriazol-4-ylmethyl)-7-methoxy-1H-benzimidazole-4-carboxylic acid
CID 67073794
methyl 2-methoxy-8-phenylmethoxyquinoline-5-carboxylate
CID 67364544
methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673
ethane;methyl 2-methoxybenzoate
CID 178037044

Frequently Asked Questions

What is the IUPAC name of methyl 7-methoxy-2-[(2-methoxyphenoxy)methyl]-1H-benzimidazole-4-carboxylate?
The IUPAC name of methyl 7-methoxy-2-[(2-methoxyphenoxy)methyl]-1H-benzimidazole-4-carboxylate (CID 22663333) is methyl 7-methoxy-2-[(2-methoxyphenoxy)methyl]-1H-benzimidazole-4-carboxylate.
What is the SMILES notation for methyl 7-methoxy-2-[(2-methoxyphenoxy)methyl]-1H-benzimidazole-4-carboxylate?
The canonical SMILES for methyl 7-methoxy-2-[(2-methoxyphenoxy)methyl]-1H-benzimidazole-4-carboxylate is COC(=O)c1ccc(OC)c2[nH]c(COc3ccccc3OC)nc12.
What is the InChIKey of methyl 7-methoxy-2-[(2-methoxyphenoxy)methyl]-1H-benzimidazole-4-carboxylate?
The InChIKey is VSAYWBFCSJVYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-22-12-6-4-5-7-13(12)25-10-15-19-16-11(18(21)24-3)8-9-14(23-2)17(16)20-15/h4-9H,10H2,1-3H3,(H,19,20).
What are the key properties of methyl 7-methoxy-2-[(2-methoxyphenoxy)methyl]-1H-benzimidazole-4-carboxylate?
methyl 7-methoxy-2-[(2-methoxyphenoxy)methyl]-1H-benzimidazole-4-carboxylate has a molecular weight of 342.35 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methoxy-2-[(2-methoxyphenoxy)methyl]-1H-benzimidazole-4-carboxylate is sourced from PubChem (CID 22663333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).