ethyl 1-ethyl-2-(3-hydroxy-4-methoxyphenyl)benzimidazole-5-carboxylate

C19H20N2O4 — CID 39904014

IUPACethyl 1-ethyl-2-(3-hydroxy-4-methoxyphenyl)benzimidazole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)nc(-c1ccc(OC)c(O)c1)n2CC
InChIInChI=1S/C19H20N2O4/c1-4-21-15-8-6-13(19(23)25-5-2)10-14(15)20-18(21)12-7-9-17(24-3)16(22)11-12/h6-11,22H,4-5H2,1-3H3
InChIKeyQECCUUIPQCEZIP-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.61
Rot. Bonds5

About ethyl 1-ethyl-2-(3-hydroxy-4-methoxyphenyl)benzimidazole-5-carboxylate

ethyl 1-ethyl-2-(3-hydroxy-4-methoxyphenyl)benzimidazole-5-carboxylate (PubChem CID 39904014) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is ethyl 1-ethyl-2-(3-hydroxy-4-methoxyphenyl)benzimidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-2-(3-hydroxy-4-methoxyphenyl)benzimidazole-5-carboxylate
PubChem CID39904014
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Nameethyl 1-ethyl-2-(3-hydroxy-4-methoxyphenyl)benzimidazole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)nc(-c1ccc(OC)c(O)c1)n2CC
InChIInChI=1S/C19H20N2O4/c1-4-21-15-8-6-13(19(23)25-5-2)10-14(15)20-18(21)12-7-9-17(24-3)16(22)11-12/h6-11,22H,4-5H2,1-3H3
InChIKeyQECCUUIPQCEZIP-UHFFFAOYSA-N
XLogP3.61
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-2-(3-hydroxy-4-methoxyphenyl)benzimidazole-5-carboxylate?
The IUPAC name of ethyl 1-ethyl-2-(3-hydroxy-4-methoxyphenyl)benzimidazole-5-carboxylate (CID 39904014) is ethyl 1-ethyl-2-(3-hydroxy-4-methoxyphenyl)benzimidazole-5-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-2-(3-hydroxy-4-methoxyphenyl)benzimidazole-5-carboxylate?
The canonical SMILES for ethyl 1-ethyl-2-(3-hydroxy-4-methoxyphenyl)benzimidazole-5-carboxylate is CCOC(=O)c1ccc2c(c1)nc(-c1ccc(OC)c(O)c1)n2CC.
What is the InChIKey of ethyl 1-ethyl-2-(3-hydroxy-4-methoxyphenyl)benzimidazole-5-carboxylate?
The InChIKey is QECCUUIPQCEZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-4-21-15-8-6-13(19(23)25-5-2)10-14(15)20-18(21)12-7-9-17(24-3)16(22)11-12/h6-11,22H,4-5H2,1-3H3.
What are the key properties of ethyl 1-ethyl-2-(3-hydroxy-4-methoxyphenyl)benzimidazole-5-carboxylate?
ethyl 1-ethyl-2-(3-hydroxy-4-methoxyphenyl)benzimidazole-5-carboxylate has a molecular weight of 340.38 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-2-(3-hydroxy-4-methoxyphenyl)benzimidazole-5-carboxylate is sourced from PubChem (CID 39904014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).