1-(1H-benzimidazol-2-yl)ethyl 3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate

C19H16N4O3 — CID 71969433

IUPAC1-(1H-benzimidazol-2-yl)ethyl 3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate
SMILESCc1nnc(-c2cccc(C(=O)OC(C)c3nc4ccccc4[nH]3)c2)o1
InChIInChI=1S/C19H16N4O3/c1-11(17-20-15-8-3-4-9-16(15)21-17)25-19(24)14-7-5-6-13(10-14)18-23-22-12(2)26-18/h3-11H,1-2H3,(H,20,21)
InChIKeyWPKZLJDHJIXHBC-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.84
Rot. Bonds4

About 1-(1H-benzimidazol-2-yl)ethyl 3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate

1-(1H-benzimidazol-2-yl)ethyl 3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate (PubChem CID 71969433) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)ethyl 3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)ethyl 3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate
PubChem CID71969433
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name1-(1H-benzimidazol-2-yl)ethyl 3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate
SMILESCc1nnc(-c2cccc(C(=O)OC(C)c3nc4ccccc4[nH]3)c2)o1
InChIInChI=1S/C19H16N4O3/c1-11(17-20-15-8-3-4-9-16(15)21-17)25-19(24)14-7-5-6-13(10-14)18-23-22-12(2)26-18/h3-11H,1-2H3,(H,20,21)
InChIKeyWPKZLJDHJIXHBC-UHFFFAOYSA-N
XLogP3.84
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1H-benzimidazol-2-yl)ethyl 3,4-dichlorobenzoate
CID 154833747
1-(1H-benzimidazol-2-yl)ethyl 4-nitrobenzoate
CID 3612510
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-methoxybenzoate
CID 135582870
1H-indol-4-ylmethyl 3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate
CID 75381035
[(1S,2S)-1,2-bis(1H-benzimidazol-2-yl)-2-benzoyloxyethyl] benzoate
CID 126341294
[(1R)-2-ethoxy-2-oxo-1-phenylethyl] 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
CID 27276566
1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 3-methoxybenzoate
CID 18196876
[(2S)-1-oxo-1-phenylbutan-2-yl] 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
CID 9172253
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-(2-methylpropoxy)benzoate
CID 135739563
(2-cyano-3-phenylpropyl) 3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate
CID 71969414
1-(1H-benzimidazol-2-yl)ethyl cyclohexanecarboxylate
CID 3152016
[(1R)-1-(1H-benzimidazol-2-yl)ethyl] cyclohexanecarboxylate
CID 1079144

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)ethyl 3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate?
The IUPAC name of 1-(1H-benzimidazol-2-yl)ethyl 3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate (CID 71969433) is 1-(1H-benzimidazol-2-yl)ethyl 3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)ethyl 3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)ethyl 3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate is Cc1nnc(-c2cccc(C(=O)OC(C)c3nc4ccccc4[nH]3)c2)o1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)ethyl 3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate?
The InChIKey is WPKZLJDHJIXHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-11(17-20-15-8-3-4-9-16(15)21-17)25-19(24)14-7-5-6-13(10-14)18-23-22-12(2)26-18/h3-11H,1-2H3,(H,20,21).
What are the key properties of 1-(1H-benzimidazol-2-yl)ethyl 3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate?
1-(1H-benzimidazol-2-yl)ethyl 3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate has a molecular weight of 348.36 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)ethyl 3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate is sourced from PubChem (CID 71969433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).