3-[2-oxo-2-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]-1H-benzimidazol-2-one

C19H22N4O3 — CID 72870078

IUPAC3-[2-oxo-2-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]-1H-benzimidazol-2-one
SMILESCC(C)c1cc(C2CCCN2C(=O)Cn2c(=O)[nH]c3ccccc32)no1
InChIInChI=1S/C19H22N4O3/c1-12(2)17-10-14(21-26-17)16-8-5-9-22(16)18(24)11-23-15-7-4-3-6-13(15)20-19(23)25/h3-4,6-7,10,12,16H,5,8-9,11H2,1-2H3,(H,20,25)
InChIKeyXVZOOFQNUDLYKR-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.80
Rot. Bonds4

About 3-[2-oxo-2-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]-1H-benzimidazol-2-one

3-[2-oxo-2-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]-1H-benzimidazol-2-one (PubChem CID 72870078) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-[2-oxo-2-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[2-oxo-2-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]-1H-benzimidazol-2-one
PubChem CID72870078
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name3-[2-oxo-2-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]-1H-benzimidazol-2-one
SMILESCC(C)c1cc(C2CCCN2C(=O)Cn2c(=O)[nH]c3ccccc32)no1
InChIInChI=1S/C19H22N4O3/c1-12(2)17-10-14(21-26-17)16-8-5-9-22(16)18(24)11-23-15-7-4-3-6-13(15)20-19(23)25/h3-4,6-7,10,12,16H,5,8-9,11H2,1-2H3,(H,20,25)
InChIKeyXVZOOFQNUDLYKR-UHFFFAOYSA-N
XLogP2.80
TPSA84.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[2-oxo-2-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]-1H-benzimidazol-2-one (CID 72870078) is 3-[2-oxo-2-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[2-oxo-2-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[2-oxo-2-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]-1H-benzimidazol-2-one is CC(C)c1cc(C2CCCN2C(=O)Cn2c(=O)[nH]c3ccccc32)no1.
What is the InChIKey of 3-[2-oxo-2-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]-1H-benzimidazol-2-one?
The InChIKey is XVZOOFQNUDLYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-12(2)17-10-14(21-26-17)16-8-5-9-22(16)18(24)11-23-15-7-4-3-6-13(15)20-19(23)25/h3-4,6-7,10,12,16H,5,8-9,11H2,1-2H3,(H,20,25).
What are the key properties of 3-[2-oxo-2-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]-1H-benzimidazol-2-one?
3-[2-oxo-2-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]-1H-benzimidazol-2-one has a molecular weight of 354.41 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 72870078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).