5-amino-4-cyclopentyl-3-(2-methylpropyl)-4H-imidazol-2-one

C12H21N3O — CID 79959238

IUPAC5-amino-4-cyclopentyl-3-(2-methylpropyl)-4H-imidazol-2-one
SMILESCC(C)CN1C(=O)N=C(N)C1C1CCCC1
InChIInChI=1S/C12H21N3O/c1-8(2)7-15-10(9-5-3-4-6-9)11(13)14-12(15)16/h8-10H,3-7H2,1-2H3,(H2,13,14,16)
InChIKeyPKJGOMANURKHPJ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.99
Rot. Bonds3

About 5-amino-4-cyclopentyl-3-(2-methylpropyl)-4H-imidazol-2-one

5-amino-4-cyclopentyl-3-(2-methylpropyl)-4H-imidazol-2-one (PubChem CID 79959238) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-amino-4-cyclopentyl-3-(2-methylpropyl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-cyclopentyl-3-(2-methylpropyl)-4H-imidazol-2-one
PubChem CID79959238
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name5-amino-4-cyclopentyl-3-(2-methylpropyl)-4H-imidazol-2-one
SMILESCC(C)CN1C(=O)N=C(N)C1C1CCCC1
InChIInChI=1S/C12H21N3O/c1-8(2)7-15-10(9-5-3-4-6-9)11(13)14-12(15)16/h8-10H,3-7H2,1-2H3,(H2,13,14,16)
InChIKeyPKJGOMANURKHPJ-UHFFFAOYSA-N
XLogP1.99
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-cyclopentyl-3-(2-methylpropyl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-cyclopentyl-3-(2-methylpropyl)-4H-imidazol-2-one (CID 79959238) is 5-amino-4-cyclopentyl-3-(2-methylpropyl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-cyclopentyl-3-(2-methylpropyl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-cyclopentyl-3-(2-methylpropyl)-4H-imidazol-2-one is CC(C)CN1C(=O)N=C(N)C1C1CCCC1.
What is the InChIKey of 5-amino-4-cyclopentyl-3-(2-methylpropyl)-4H-imidazol-2-one?
The InChIKey is PKJGOMANURKHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-8(2)7-15-10(9-5-3-4-6-9)11(13)14-12(15)16/h8-10H,3-7H2,1-2H3,(H2,13,14,16).
What are the key properties of 5-amino-4-cyclopentyl-3-(2-methylpropyl)-4H-imidazol-2-one?
5-amino-4-cyclopentyl-3-(2-methylpropyl)-4H-imidazol-2-one has a molecular weight of 223.32 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-cyclopentyl-3-(2-methylpropyl)-4H-imidazol-2-one is sourced from PubChem (CID 79959238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).