6-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-ethyl-1H-benzimidazol-2-one

C17H13ClN4O2 — CID 53033622

IUPAC6-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-ethyl-1H-benzimidazol-2-one
SMILESCCn1c(=O)[nH]c2cc(-c3noc(-c4ccccc4Cl)n3)ccc21
InChIInChI=1S/C17H13ClN4O2/c1-2-22-14-8-7-10(9-13(14)19-17(22)23)15-20-16(24-21-15)11-5-3-4-6-12(11)18/h3-9H,2H2,1H3,(H,19,23)
InChIKeyAOEVEXRMUHRZMF-UHFFFAOYSA-N
MW340.77 g/mol
LogP3.72
Rot. Bonds3

About 6-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-ethyl-1H-benzimidazol-2-one

6-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-ethyl-1H-benzimidazol-2-one (PubChem CID 53033622) has the molecular formula C17H13ClN4O2 and a molecular weight of 340.77 g/mol. Its IUPAC name is 6-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-ethyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-ethyl-1H-benzimidazol-2-one
PubChem CID53033622
Molecular FormulaC17H13ClN4O2
Molecular Weight340.77 g/mol
Exact Mass340.07
IUPAC Name6-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-ethyl-1H-benzimidazol-2-one
SMILESCCn1c(=O)[nH]c2cc(-c3noc(-c4ccccc4Cl)n3)ccc21
InChIInChI=1S/C17H13ClN4O2/c1-2-22-14-8-7-10(9-13(14)19-17(22)23)15-20-16(24-21-15)11-5-3-4-6-12(11)18/h3-9H,2H2,1H3,(H,19,23)
InChIKeyAOEVEXRMUHRZMF-UHFFFAOYSA-N
XLogP3.72
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-ethyl-1H-benzimidazol-2-one?
The IUPAC name of 6-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-ethyl-1H-benzimidazol-2-one (CID 53033622) is 6-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-ethyl-1H-benzimidazol-2-one.
What is the SMILES notation for 6-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-ethyl-1H-benzimidazol-2-one?
The canonical SMILES for 6-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-ethyl-1H-benzimidazol-2-one is CCn1c(=O)[nH]c2cc(-c3noc(-c4ccccc4Cl)n3)ccc21.
What is the InChIKey of 6-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-ethyl-1H-benzimidazol-2-one?
The InChIKey is AOEVEXRMUHRZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O2/c1-2-22-14-8-7-10(9-13(14)19-17(22)23)15-20-16(24-21-15)11-5-3-4-6-12(11)18/h3-9H,2H2,1H3,(H,19,23).
What are the key properties of 6-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-ethyl-1H-benzimidazol-2-one?
6-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-ethyl-1H-benzimidazol-2-one has a molecular weight of 340.77 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-ethyl-1H-benzimidazol-2-one is sourced from PubChem (CID 53033622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).