methyl 1-(5-ethyl-2,4-dimethoxyphenyl)-2-oxo-3H-benzimidazole-5-carboxylate

C19H20N2O5 — CID 68930217

IUPACmethyl 1-(5-ethyl-2,4-dimethoxyphenyl)-2-oxo-3H-benzimidazole-5-carboxylate
SMILESCCc1cc(-n2c(=O)[nH]c3cc(C(=O)OC)ccc32)c(OC)cc1OC
InChIInChI=1S/C19H20N2O5/c1-5-11-9-15(17(25-3)10-16(11)24-2)21-14-7-6-12(18(22)26-4)8-13(14)20-19(21)23/h6-10H,5H2,1-4H3,(H,20,23)
InChIKeyOKSFCFIWPPEVFN-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.68
Rot. Bonds5

About methyl 1-(5-ethyl-2,4-dimethoxyphenyl)-2-oxo-3H-benzimidazole-5-carboxylate

methyl 1-(5-ethyl-2,4-dimethoxyphenyl)-2-oxo-3H-benzimidazole-5-carboxylate (PubChem CID 68930217) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is methyl 1-(5-ethyl-2,4-dimethoxyphenyl)-2-oxo-3H-benzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-ethyl-2,4-dimethoxyphenyl)-2-oxo-3H-benzimidazole-5-carboxylate
PubChem CID68930217
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Namemethyl 1-(5-ethyl-2,4-dimethoxyphenyl)-2-oxo-3H-benzimidazole-5-carboxylate
SMILESCCc1cc(-n2c(=O)[nH]c3cc(C(=O)OC)ccc32)c(OC)cc1OC
InChIInChI=1S/C19H20N2O5/c1-5-11-9-15(17(25-3)10-16(11)24-2)21-14-7-6-12(18(22)26-4)8-13(14)20-19(21)23/h6-10H,5H2,1-4H3,(H,20,23)
InChIKeyOKSFCFIWPPEVFN-UHFFFAOYSA-N
XLogP2.68
TPSA82.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-ethyl-2,4-dimethoxyphenyl)-2-oxo-3H-benzimidazole-5-carboxylate?
The IUPAC name of methyl 1-(5-ethyl-2,4-dimethoxyphenyl)-2-oxo-3H-benzimidazole-5-carboxylate (CID 68930217) is methyl 1-(5-ethyl-2,4-dimethoxyphenyl)-2-oxo-3H-benzimidazole-5-carboxylate.
What is the SMILES notation for methyl 1-(5-ethyl-2,4-dimethoxyphenyl)-2-oxo-3H-benzimidazole-5-carboxylate?
The canonical SMILES for methyl 1-(5-ethyl-2,4-dimethoxyphenyl)-2-oxo-3H-benzimidazole-5-carboxylate is CCc1cc(-n2c(=O)[nH]c3cc(C(=O)OC)ccc32)c(OC)cc1OC.
What is the InChIKey of methyl 1-(5-ethyl-2,4-dimethoxyphenyl)-2-oxo-3H-benzimidazole-5-carboxylate?
The InChIKey is OKSFCFIWPPEVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-5-11-9-15(17(25-3)10-16(11)24-2)21-14-7-6-12(18(22)26-4)8-13(14)20-19(21)23/h6-10H,5H2,1-4H3,(H,20,23).
What are the key properties of methyl 1-(5-ethyl-2,4-dimethoxyphenyl)-2-oxo-3H-benzimidazole-5-carboxylate?
methyl 1-(5-ethyl-2,4-dimethoxyphenyl)-2-oxo-3H-benzimidazole-5-carboxylate has a molecular weight of 356.38 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-ethyl-2,4-dimethoxyphenyl)-2-oxo-3H-benzimidazole-5-carboxylate is sourced from PubChem (CID 68930217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).