4-amino-1-methyl-5,5-dipropylimidazol-2-one

C10H19N3O — CID 79959519

IUPAC4-amino-1-methyl-5,5-dipropylimidazol-2-one
SMILESCCCC1(CCC)C(N)=NC(=O)N1C
InChIInChI=1S/C10H19N3O/c1-4-6-10(7-5-2)8(11)12-9(14)13(10)3/h4-7H2,1-3H3,(H2,11,12,14)
InChIKeyLJBPJDSQGMYYSE-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.75
Rot. Bonds4

About 4-amino-1-methyl-5,5-dipropylimidazol-2-one

4-amino-1-methyl-5,5-dipropylimidazol-2-one (PubChem CID 79959519) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-amino-1-methyl-5,5-dipropylimidazol-2-one.

Molecular Properties

Compound Name4-amino-1-methyl-5,5-dipropylimidazol-2-one
PubChem CID79959519
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name4-amino-1-methyl-5,5-dipropylimidazol-2-one
SMILESCCCC1(CCC)C(N)=NC(=O)N1C
InChIInChI=1S/C10H19N3O/c1-4-6-10(7-5-2)8(11)12-9(14)13(10)3/h4-7H2,1-3H3,(H2,11,12,14)
InChIKeyLJBPJDSQGMYYSE-UHFFFAOYSA-N
XLogP1.75
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-5,5-dipropylimidazol-2-one?
The IUPAC name of 4-amino-1-methyl-5,5-dipropylimidazol-2-one (CID 79959519) is 4-amino-1-methyl-5,5-dipropylimidazol-2-one.
What is the SMILES notation for 4-amino-1-methyl-5,5-dipropylimidazol-2-one?
The canonical SMILES for 4-amino-1-methyl-5,5-dipropylimidazol-2-one is CCCC1(CCC)C(N)=NC(=O)N1C.
What is the InChIKey of 4-amino-1-methyl-5,5-dipropylimidazol-2-one?
The InChIKey is LJBPJDSQGMYYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-4-6-10(7-5-2)8(11)12-9(14)13(10)3/h4-7H2,1-3H3,(H2,11,12,14).
What are the key properties of 4-amino-1-methyl-5,5-dipropylimidazol-2-one?
4-amino-1-methyl-5,5-dipropylimidazol-2-one has a molecular weight of 197.28 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-5,5-dipropylimidazol-2-one is sourced from PubChem (CID 79959519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).