5-amino-3-cyclopropyl-4-(2,2-dimethylpropyl)-4H-imidazol-2-one

C11H19N3O — CID 79959864

IUPAC5-amino-3-cyclopropyl-4-(2,2-dimethylpropyl)-4H-imidazol-2-one
SMILESCC(C)(C)CC1C(N)=NC(=O)N1C1CC1
InChIInChI=1S/C11H19N3O/c1-11(2,3)6-8-9(12)13-10(15)14(8)7-4-5-7/h7-8H,4-6H2,1-3H3,(H2,12,13,15)
InChIKeySHQWIXCGSRCDQT-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.75
Rot. Bonds2

About 5-amino-3-cyclopropyl-4-(2,2-dimethylpropyl)-4H-imidazol-2-one

5-amino-3-cyclopropyl-4-(2,2-dimethylpropyl)-4H-imidazol-2-one (PubChem CID 79959864) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-amino-3-cyclopropyl-4-(2,2-dimethylpropyl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-cyclopropyl-4-(2,2-dimethylpropyl)-4H-imidazol-2-one
PubChem CID79959864
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name5-amino-3-cyclopropyl-4-(2,2-dimethylpropyl)-4H-imidazol-2-one
SMILESCC(C)(C)CC1C(N)=NC(=O)N1C1CC1
InChIInChI=1S/C11H19N3O/c1-11(2,3)6-8-9(12)13-10(15)14(8)7-4-5-7/h7-8H,4-6H2,1-3H3,(H2,12,13,15)
InChIKeySHQWIXCGSRCDQT-UHFFFAOYSA-N
XLogP1.75
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-cyclopropyl-4-(2,2-dimethylpropyl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-cyclopropyl-4-(2,2-dimethylpropyl)-4H-imidazol-2-one (CID 79959864) is 5-amino-3-cyclopropyl-4-(2,2-dimethylpropyl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-cyclopropyl-4-(2,2-dimethylpropyl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-cyclopropyl-4-(2,2-dimethylpropyl)-4H-imidazol-2-one is CC(C)(C)CC1C(N)=NC(=O)N1C1CC1.
What is the InChIKey of 5-amino-3-cyclopropyl-4-(2,2-dimethylpropyl)-4H-imidazol-2-one?
The InChIKey is SHQWIXCGSRCDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-11(2,3)6-8-9(12)13-10(15)14(8)7-4-5-7/h7-8H,4-6H2,1-3H3,(H2,12,13,15).
What are the key properties of 5-amino-3-cyclopropyl-4-(2,2-dimethylpropyl)-4H-imidazol-2-one?
5-amino-3-cyclopropyl-4-(2,2-dimethylpropyl)-4H-imidazol-2-one has a molecular weight of 209.29 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-cyclopropyl-4-(2,2-dimethylpropyl)-4H-imidazol-2-one is sourced from PubChem (CID 79959864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).