(4-amino-2-propan-2-yl-1H-imidazol-5-yl)-pyrrolidin-1-ylmethanone

C11H18N4O — CID 50878473

IUPAC(4-amino-2-propan-2-yl-1H-imidazol-5-yl)-pyrrolidin-1-ylmethanone
SMILESCC(C)c1nc(N)c(C(=O)N2CCCC2)[nH]1
InChIInChI=1S/C11H18N4O/c1-7(2)10-13-8(9(12)14-10)11(16)15-5-3-4-6-15/h7H,3-6,12H2,1-2H3,(H,13,14)
InChIKeyRYQUJDZRYKUNGN-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.35
Rot. Bonds2

About (4-amino-2-propan-2-yl-1H-imidazol-5-yl)-pyrrolidin-1-ylmethanone

(4-amino-2-propan-2-yl-1H-imidazol-5-yl)-pyrrolidin-1-ylmethanone (PubChem CID 50878473) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is (4-amino-2-propan-2-yl-1H-imidazol-5-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(4-amino-2-propan-2-yl-1H-imidazol-5-yl)-pyrrolidin-1-ylmethanone
PubChem CID50878473
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name(4-amino-2-propan-2-yl-1H-imidazol-5-yl)-pyrrolidin-1-ylmethanone
SMILESCC(C)c1nc(N)c(C(=O)N2CCCC2)[nH]1
InChIInChI=1S/C11H18N4O/c1-7(2)10-13-8(9(12)14-10)11(16)15-5-3-4-6-15/h7H,3-6,12H2,1-2H3,(H,13,14)
InChIKeyRYQUJDZRYKUNGN-UHFFFAOYSA-N
XLogP1.35
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-amino-2-propan-2-yl-1H-imidazol-5-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (4-amino-2-propan-2-yl-1H-imidazol-5-yl)-pyrrolidin-1-ylmethanone (CID 50878473) is (4-amino-2-propan-2-yl-1H-imidazol-5-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (4-amino-2-propan-2-yl-1H-imidazol-5-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (4-amino-2-propan-2-yl-1H-imidazol-5-yl)-pyrrolidin-1-ylmethanone is CC(C)c1nc(N)c(C(=O)N2CCCC2)[nH]1.
What is the InChIKey of (4-amino-2-propan-2-yl-1H-imidazol-5-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is RYQUJDZRYKUNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-7(2)10-13-8(9(12)14-10)11(16)15-5-3-4-6-15/h7H,3-6,12H2,1-2H3,(H,13,14).
What are the key properties of (4-amino-2-propan-2-yl-1H-imidazol-5-yl)-pyrrolidin-1-ylmethanone?
(4-amino-2-propan-2-yl-1H-imidazol-5-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 222.29 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-propan-2-yl-1H-imidazol-5-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 50878473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).