4-amino-5-(5-chloro-1-methylimidazol-2-yl)-1-propan-2-ylpyrrolidin-2-one

C11H17ClN4O — CID 114239529

IUPAC4-amino-5-(5-chloro-1-methylimidazol-2-yl)-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1C(=O)CC(N)C1c1ncc(Cl)n1C
InChIInChI=1S/C11H17ClN4O/c1-6(2)16-9(17)4-7(13)10(16)11-14-5-8(12)15(11)3/h5-7,10H,4,13H2,1-3H3
InChIKeyCEALBASGGUPWLZ-UHFFFAOYSA-N
MW256.74 g/mol
LogP1.08
Rot. Bonds2

About 4-amino-5-(5-chloro-1-methylimidazol-2-yl)-1-propan-2-ylpyrrolidin-2-one

4-amino-5-(5-chloro-1-methylimidazol-2-yl)-1-propan-2-ylpyrrolidin-2-one (PubChem CID 114239529) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 4-amino-5-(5-chloro-1-methylimidazol-2-yl)-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-5-(5-chloro-1-methylimidazol-2-yl)-1-propan-2-ylpyrrolidin-2-one
PubChem CID114239529
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name4-amino-5-(5-chloro-1-methylimidazol-2-yl)-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1C(=O)CC(N)C1c1ncc(Cl)n1C
InChIInChI=1S/C11H17ClN4O/c1-6(2)16-9(17)4-7(13)10(16)11-14-5-8(12)15(11)3/h5-7,10H,4,13H2,1-3H3
InChIKeyCEALBASGGUPWLZ-UHFFFAOYSA-N
XLogP1.08
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(5-chloro-1-methylimidazol-2-yl)-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 4-amino-5-(5-chloro-1-methylimidazol-2-yl)-1-propan-2-ylpyrrolidin-2-one (CID 114239529) is 4-amino-5-(5-chloro-1-methylimidazol-2-yl)-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 4-amino-5-(5-chloro-1-methylimidazol-2-yl)-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 4-amino-5-(5-chloro-1-methylimidazol-2-yl)-1-propan-2-ylpyrrolidin-2-one is CC(C)N1C(=O)CC(N)C1c1ncc(Cl)n1C.
What is the InChIKey of 4-amino-5-(5-chloro-1-methylimidazol-2-yl)-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is CEALBASGGUPWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-6(2)16-9(17)4-7(13)10(16)11-14-5-8(12)15(11)3/h5-7,10H,4,13H2,1-3H3.
What are the key properties of 4-amino-5-(5-chloro-1-methylimidazol-2-yl)-1-propan-2-ylpyrrolidin-2-one?
4-amino-5-(5-chloro-1-methylimidazol-2-yl)-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 256.74 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(5-chloro-1-methylimidazol-2-yl)-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 114239529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).