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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Related Compounds

ethyl 4-(3-hydroxy-4-methoxyphenyl)benzoate
CID 53221031
diethyl 4-(3-hydroxy-4-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 11291749
ethyl 2-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-1-methylbenzimidazole-5-carboxylate
CID 156583438
5-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methoxyaniline
CID 63743435
ethyl 3-ethyl-2-methylbenzimidazole-5-carboxylate
CID 5297383
1-ethyl-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-methylbenzimidazole-5-carboxamide
CID 6902346
ethyl 1-ethyl-2-[2-(4-methoxyphenoxy)ethylsulfanyl]benzimidazole-5-carboxylate
CID 7845699
ethyl 2-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]-1-propylbenzimidazole-5-carboxylate
CID 5274471
ethyl 2-(4-methoxyphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazole-5-carboxylate
CID 139082940
ethyl 1-ethyl-2-[2-(methylamino)-2-oxoethyl]sulfanylbenzimidazole-5-carboxylate
CID 3987529
ethyl 2-(2,2-diphenylethyl)-1-ethylbenzimidazole-5-carboxylate
CID 7996375
4-(1-ethylbenzimidazol-2-yl)-2,6-dimethoxyphenol
CID 135574032

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).