5-amino-4-cycloheptyl-3-cyclopropyl-4H-imidazol-2-one

C13H21N3O — CID 79959457

IUPAC5-amino-4-cycloheptyl-3-cyclopropyl-4H-imidazol-2-one
SMILESNC1=NC(=O)N(C2CC2)C1C1CCCCCC1
InChIInChI=1S/C13H21N3O/c14-12-11(9-5-3-1-2-4-6-9)16(10-7-8-10)13(17)15-12/h9-11H,1-8H2,(H2,14,15,17)
InChIKeyPAMYQMYPIMVEDZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.28
Rot. Bonds2

About 5-amino-4-cycloheptyl-3-cyclopropyl-4H-imidazol-2-one

5-amino-4-cycloheptyl-3-cyclopropyl-4H-imidazol-2-one (PubChem CID 79959457) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-amino-4-cycloheptyl-3-cyclopropyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-cycloheptyl-3-cyclopropyl-4H-imidazol-2-one
PubChem CID79959457
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name5-amino-4-cycloheptyl-3-cyclopropyl-4H-imidazol-2-one
SMILESNC1=NC(=O)N(C2CC2)C1C1CCCCCC1
InChIInChI=1S/C13H21N3O/c14-12-11(9-5-3-1-2-4-6-9)16(10-7-8-10)13(17)15-12/h9-11H,1-8H2,(H2,14,15,17)
InChIKeyPAMYQMYPIMVEDZ-UHFFFAOYSA-N
XLogP2.28
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-amino-4-cycloheptyl-3-cyclopropyl-4H-imidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-cycloheptyl-3-cyclopropyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-cycloheptyl-3-cyclopropyl-4H-imidazol-2-one (CID 79959457) is 5-amino-4-cycloheptyl-3-cyclopropyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-cycloheptyl-3-cyclopropyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-cycloheptyl-3-cyclopropyl-4H-imidazol-2-one is NC1=NC(=O)N(C2CC2)C1C1CCCCCC1.
What is the InChIKey of 5-amino-4-cycloheptyl-3-cyclopropyl-4H-imidazol-2-one?
The InChIKey is PAMYQMYPIMVEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c14-12-11(9-5-3-1-2-4-6-9)16(10-7-8-10)13(17)15-12/h9-11H,1-8H2,(H2,14,15,17).
What are the key properties of 5-amino-4-cycloheptyl-3-cyclopropyl-4H-imidazol-2-one?
5-amino-4-cycloheptyl-3-cyclopropyl-4H-imidazol-2-one has a molecular weight of 235.33 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-cycloheptyl-3-cyclopropyl-4H-imidazol-2-one is sourced from PubChem (CID 79959457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).