methyl 3-(2-methoxyethyl)benzimidazole-5-carboxylate

C12H14N2O3 — CID 164580306

IUPACmethyl 3-(2-methoxyethyl)benzimidazole-5-carboxylate
SMILESCOCCn1cnc2ccc(C(=O)OC)cc21
InChIInChI=1S/C12H14N2O3/c1-16-6-5-14-8-13-10-4-3-9(7-11(10)14)12(15)17-2/h3-4,7-8H,5-6H2,1-2H3
InChIKeyDDVGVMIQYUXWIY-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.47
Rot. Bonds4

About methyl 3-(2-methoxyethyl)benzimidazole-5-carboxylate

methyl 3-(2-methoxyethyl)benzimidazole-5-carboxylate (PubChem CID 164580306) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is methyl 3-(2-methoxyethyl)benzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-methoxyethyl)benzimidazole-5-carboxylate
PubChem CID164580306
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Namemethyl 3-(2-methoxyethyl)benzimidazole-5-carboxylate
SMILESCOCCn1cnc2ccc(C(=O)OC)cc21
InChIInChI=1S/C12H14N2O3/c1-16-6-5-14-8-13-10-4-3-9(7-11(10)14)12(15)17-2/h3-4,7-8H,5-6H2,1-2H3
InChIKeyDDVGVMIQYUXWIY-UHFFFAOYSA-N
XLogP1.47
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methoxyethyl)benzimidazole-5-carbaldehyde
CID 58748120
methyl 3-acetylbenzimidazole-5-carboxylate
CID 12795316
methyl 3-[(4-diethoxyphosphorylphenyl)methyl]benzimidazole-5-carboxylate
CID 155195344
methyl 3-(2-methoxyethyl)imidazo[4,5-b]pyridine-5-carboxylate
CID 175929279
methyl 3-(oxan-2-ylmethyl)benzimidazole-5-carboxylate
CID 175810663
methyl 1-(2-methoxyethyl)indole-5-carboxylate
CID 67169484
methyl 3H-benzimidazole-5-carboxylate;bis(methyl 3-methylbenzimidazole-5-carboxylate)
CID 158454175
methyl 4-[[6-[3-(2-methoxyethyl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]benzoate
CID 121272534
3-ethyl-N-hydroxybenzimidazole-5-carboxamide
CID 87266116
methyl 1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 140802943
methyl 3-methoxy-4-[(6-nitrobenzimidazol-1-yl)methyl]benzoate
CID 14763096
ethyl 3-[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]benzimidazole-5-carboxylate
CID 58878844

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methoxyethyl)benzimidazole-5-carboxylate?
The IUPAC name of methyl 3-(2-methoxyethyl)benzimidazole-5-carboxylate (CID 164580306) is methyl 3-(2-methoxyethyl)benzimidazole-5-carboxylate.
What is the SMILES notation for methyl 3-(2-methoxyethyl)benzimidazole-5-carboxylate?
The canonical SMILES for methyl 3-(2-methoxyethyl)benzimidazole-5-carboxylate is COCCn1cnc2ccc(C(=O)OC)cc21.
What is the InChIKey of methyl 3-(2-methoxyethyl)benzimidazole-5-carboxylate?
The InChIKey is DDVGVMIQYUXWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-16-6-5-14-8-13-10-4-3-9(7-11(10)14)12(15)17-2/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of methyl 3-(2-methoxyethyl)benzimidazole-5-carboxylate?
methyl 3-(2-methoxyethyl)benzimidazole-5-carboxylate has a molecular weight of 234.25 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methoxyethyl)benzimidazole-5-carboxylate is sourced from PubChem (CID 164580306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).