4-amino-5-ethyl-5-(methoxymethyl)-1H-imidazol-2-one

C7H13N3O2 — CID 79962300

IUPAC4-amino-5-ethyl-5-(methoxymethyl)-1H-imidazol-2-one
SMILESCCC1(COC)NC(=O)N=C1N
InChIInChI=1S/C7H13N3O2/c1-3-7(4-12-2)5(8)9-6(11)10-7/h3-4H2,1-2H3,(H3,8,9,10,11)
InChIKeyJDIRBAJKEQMQFU-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.14
Rot. Bonds3

About 4-amino-5-ethyl-5-(methoxymethyl)-1H-imidazol-2-one

4-amino-5-ethyl-5-(methoxymethyl)-1H-imidazol-2-one (PubChem CID 79962300) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 4-amino-5-ethyl-5-(methoxymethyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name4-amino-5-ethyl-5-(methoxymethyl)-1H-imidazol-2-one
PubChem CID79962300
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name4-amino-5-ethyl-5-(methoxymethyl)-1H-imidazol-2-one
SMILESCCC1(COC)NC(=O)N=C1N
InChIInChI=1S/C7H13N3O2/c1-3-7(4-12-2)5(8)9-6(11)10-7/h3-4H2,1-2H3,(H3,8,9,10,11)
InChIKeyJDIRBAJKEQMQFU-UHFFFAOYSA-N
XLogP-0.14
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-5-(methoxymethyl)-1H-imidazol-2-one?
The IUPAC name of 4-amino-5-ethyl-5-(methoxymethyl)-1H-imidazol-2-one (CID 79962300) is 4-amino-5-ethyl-5-(methoxymethyl)-1H-imidazol-2-one.
What is the SMILES notation for 4-amino-5-ethyl-5-(methoxymethyl)-1H-imidazol-2-one?
The canonical SMILES for 4-amino-5-ethyl-5-(methoxymethyl)-1H-imidazol-2-one is CCC1(COC)NC(=O)N=C1N.
What is the InChIKey of 4-amino-5-ethyl-5-(methoxymethyl)-1H-imidazol-2-one?
The InChIKey is JDIRBAJKEQMQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-3-7(4-12-2)5(8)9-6(11)10-7/h3-4H2,1-2H3,(H3,8,9,10,11).
What are the key properties of 4-amino-5-ethyl-5-(methoxymethyl)-1H-imidazol-2-one?
4-amino-5-ethyl-5-(methoxymethyl)-1H-imidazol-2-one has a molecular weight of 171.20 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-5-(methoxymethyl)-1H-imidazol-2-one is sourced from PubChem (CID 79962300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).