4-amino-1,5-dicyclopropyl-5-(3-methylbutyl)imidazol-2-one

C14H23N3O — CID 114276158

IUPAC4-amino-1,5-dicyclopropyl-5-(3-methylbutyl)imidazol-2-one
SMILESCC(C)CCC1(C2CC2)C(N)=NC(=O)N1C1CC1
InChIInChI=1S/C14H23N3O/c1-9(2)7-8-14(10-3-4-10)12(15)16-13(18)17(14)11-5-6-11/h9-11H,3-8H2,1-2H3,(H2,15,16,18)
InChIKeyROPMFODOIWKMBU-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.53
Rot. Bonds5

About 4-amino-1,5-dicyclopropyl-5-(3-methylbutyl)imidazol-2-one

4-amino-1,5-dicyclopropyl-5-(3-methylbutyl)imidazol-2-one (PubChem CID 114276158) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-amino-1,5-dicyclopropyl-5-(3-methylbutyl)imidazol-2-one.

Molecular Properties

Compound Name4-amino-1,5-dicyclopropyl-5-(3-methylbutyl)imidazol-2-one
PubChem CID114276158
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-amino-1,5-dicyclopropyl-5-(3-methylbutyl)imidazol-2-one
SMILESCC(C)CCC1(C2CC2)C(N)=NC(=O)N1C1CC1
InChIInChI=1S/C14H23N3O/c1-9(2)7-8-14(10-3-4-10)12(15)16-13(18)17(14)11-5-6-11/h9-11H,3-8H2,1-2H3,(H2,15,16,18)
InChIKeyROPMFODOIWKMBU-UHFFFAOYSA-N
XLogP2.53
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,5-dicyclopropyl-5-(3-methylbutyl)imidazol-2-one?
The IUPAC name of 4-amino-1,5-dicyclopropyl-5-(3-methylbutyl)imidazol-2-one (CID 114276158) is 4-amino-1,5-dicyclopropyl-5-(3-methylbutyl)imidazol-2-one.
What is the SMILES notation for 4-amino-1,5-dicyclopropyl-5-(3-methylbutyl)imidazol-2-one?
The canonical SMILES for 4-amino-1,5-dicyclopropyl-5-(3-methylbutyl)imidazol-2-one is CC(C)CCC1(C2CC2)C(N)=NC(=O)N1C1CC1.
What is the InChIKey of 4-amino-1,5-dicyclopropyl-5-(3-methylbutyl)imidazol-2-one?
The InChIKey is ROPMFODOIWKMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-9(2)7-8-14(10-3-4-10)12(15)16-13(18)17(14)11-5-6-11/h9-11H,3-8H2,1-2H3,(H2,15,16,18).
What are the key properties of 4-amino-1,5-dicyclopropyl-5-(3-methylbutyl)imidazol-2-one?
4-amino-1,5-dicyclopropyl-5-(3-methylbutyl)imidazol-2-one has a molecular weight of 249.36 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,5-dicyclopropyl-5-(3-methylbutyl)imidazol-2-one is sourced from PubChem (CID 114276158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).