2-amino-4-(2-methoxyethyl)-4-methyl-1H-imidazol-5-one

C7H13N3O2 — CID 82997100

IUPAC2-amino-4-(2-methoxyethyl)-4-methyl-1H-imidazol-5-one
SMILESCOCCC1(C)N=C(N)NC1=O
InChIInChI=1S/C7H13N3O2/c1-7(3-4-12-2)5(11)9-6(8)10-7/h3-4H2,1-2H3,(H3,8,9,10,11)
InChIKeyZBLABNJFGSMJAX-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.77
Rot. Bonds3

About 2-amino-4-(2-methoxyethyl)-4-methyl-1H-imidazol-5-one

2-amino-4-(2-methoxyethyl)-4-methyl-1H-imidazol-5-one (PubChem CID 82997100) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-amino-4-(2-methoxyethyl)-4-methyl-1H-imidazol-5-one.

Molecular Properties

Compound Name2-amino-4-(2-methoxyethyl)-4-methyl-1H-imidazol-5-one
PubChem CID82997100
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name2-amino-4-(2-methoxyethyl)-4-methyl-1H-imidazol-5-one
SMILESCOCCC1(C)N=C(N)NC1=O
InChIInChI=1S/C7H13N3O2/c1-7(3-4-12-2)5(11)9-6(8)10-7/h3-4H2,1-2H3,(H3,8,9,10,11)
InChIKeyZBLABNJFGSMJAX-UHFFFAOYSA-N
XLogP-0.77
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-methoxyethyl)-4-methyl-1H-imidazol-5-one?
The IUPAC name of 2-amino-4-(2-methoxyethyl)-4-methyl-1H-imidazol-5-one (CID 82997100) is 2-amino-4-(2-methoxyethyl)-4-methyl-1H-imidazol-5-one.
What is the SMILES notation for 2-amino-4-(2-methoxyethyl)-4-methyl-1H-imidazol-5-one?
The canonical SMILES for 2-amino-4-(2-methoxyethyl)-4-methyl-1H-imidazol-5-one is COCCC1(C)N=C(N)NC1=O.
What is the InChIKey of 2-amino-4-(2-methoxyethyl)-4-methyl-1H-imidazol-5-one?
The InChIKey is ZBLABNJFGSMJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-7(3-4-12-2)5(11)9-6(8)10-7/h3-4H2,1-2H3,(H3,8,9,10,11).
What are the key properties of 2-amino-4-(2-methoxyethyl)-4-methyl-1H-imidazol-5-one?
2-amino-4-(2-methoxyethyl)-4-methyl-1H-imidazol-5-one has a molecular weight of 171.20 g/mol, XLogP of -0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-methoxyethyl)-4-methyl-1H-imidazol-5-one is sourced from PubChem (CID 82997100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).