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

C20H16ClN5O3 — CID 53065679

IUPAC6-[5-[1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-3-methyl-1H-benzimidazol-2-one
SMILESCn1c(=O)[nH]c2cc(-c3noc(C4CC(=O)N(c5cccc(Cl)c5)C4)n3)ccc21
InChIInChI=1S/C20H16ClN5O3/c1-25-16-6-5-11(7-15(16)22-20(25)28)18-23-19(29-24-18)12-8-17(27)26(10-12)14-4-2-3-13(21)9-14/h2-7,9,12H,8,10H2,1H3,(H,22,28)
InChIKeyUZZKCRSFKKISQY-UHFFFAOYSA-N
MW409.83 g/mol
LogP3.09
Rot. Bonds3

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

6-[5-[1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-3-methyl-1H-benzimidazol-2-one (PubChem CID 53065679) has the molecular formula C20H16ClN5O3 and a molecular weight of 409.83 g/mol. Its IUPAC name is 6-[5-[1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-3-methyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-[5-[1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-3-methyl-1H-benzimidazol-2-one
PubChem CID53065679
Molecular FormulaC20H16ClN5O3
Molecular Weight409.83 g/mol
Exact Mass409.09
IUPAC Name6-[5-[1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-3-methyl-1H-benzimidazol-2-one
SMILESCn1c(=O)[nH]c2cc(-c3noc(C4CC(=O)N(c5cccc(Cl)c5)C4)n3)ccc21
InChIInChI=1S/C20H16ClN5O3/c1-25-16-6-5-11(7-15(16)22-20(25)28)18-23-19(29-24-18)12-8-17(27)26(10-12)14-4-2-3-13(21)9-14/h2-7,9,12H,8,10H2,1H3,(H,22,28)
InChIKeyUZZKCRSFKKISQY-UHFFFAOYSA-N
XLogP3.09
TPSA97.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.83
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-3-methyl-1H-benzimidazol-2-one?
The IUPAC name of 6-[5-[1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-3-methyl-1H-benzimidazol-2-one (CID 53065679) is 6-[5-[1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-3-methyl-1H-benzimidazol-2-one.
What is the SMILES notation for 6-[5-[1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-3-methyl-1H-benzimidazol-2-one?
The canonical SMILES for 6-[5-[1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-3-methyl-1H-benzimidazol-2-one is Cn1c(=O)[nH]c2cc(-c3noc(C4CC(=O)N(c5cccc(Cl)c5)C4)n3)ccc21.
What is the InChIKey of 6-[5-[1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-3-methyl-1H-benzimidazol-2-one?
The InChIKey is UZZKCRSFKKISQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O3/c1-25-16-6-5-11(7-15(16)22-20(25)28)18-23-19(29-24-18)12-8-17(27)26(10-12)14-4-2-3-13(21)9-14/h2-7,9,12H,8,10H2,1H3,(H,22,28).
What are the key properties of 6-[5-[1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-3-methyl-1H-benzimidazol-2-one?
6-[5-[1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-3-methyl-1H-benzimidazol-2-one has a molecular weight of 409.83 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-3-methyl-1H-benzimidazol-2-one is sourced from PubChem (CID 53065679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).