4-(2-amino-1-hydroxyethyl)-1,3-dimethylimidazol-2-one

C7H13N3O2 — CID 83874088

IUPAC4-(2-amino-1-hydroxyethyl)-1,3-dimethylimidazol-2-one
SMILESCn1cc(C(O)CN)n(C)c1=O
InChIInChI=1S/C7H13N3O2/c1-9-4-5(6(11)3-8)10(2)7(9)12/h4,6,11H,3,8H2,1-2H3
InChIKeyAPXMVLUQEQXPEU-UHFFFAOYSA-N
MW171.20 g/mol
LogP-1.28
Rot. Bonds2

About 4-(2-amino-1-hydroxyethyl)-1,3-dimethylimidazol-2-one

4-(2-amino-1-hydroxyethyl)-1,3-dimethylimidazol-2-one (PubChem CID 83874088) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 4-(2-amino-1-hydroxyethyl)-1,3-dimethylimidazol-2-one.

Molecular Properties

Compound Name4-(2-amino-1-hydroxyethyl)-1,3-dimethylimidazol-2-one
PubChem CID83874088
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name4-(2-amino-1-hydroxyethyl)-1,3-dimethylimidazol-2-one
SMILESCn1cc(C(O)CN)n(C)c1=O
InChIInChI=1S/C7H13N3O2/c1-9-4-5(6(11)3-8)10(2)7(9)12/h4,6,11H,3,8H2,1-2H3
InChIKeyAPXMVLUQEQXPEU-UHFFFAOYSA-N
XLogP-1.28
TPSA73.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1-hydroxyethyl)-1,3-dimethylimidazol-2-one?
The IUPAC name of 4-(2-amino-1-hydroxyethyl)-1,3-dimethylimidazol-2-one (CID 83874088) is 4-(2-amino-1-hydroxyethyl)-1,3-dimethylimidazol-2-one.
What is the SMILES notation for 4-(2-amino-1-hydroxyethyl)-1,3-dimethylimidazol-2-one?
The canonical SMILES for 4-(2-amino-1-hydroxyethyl)-1,3-dimethylimidazol-2-one is Cn1cc(C(O)CN)n(C)c1=O.
What is the InChIKey of 4-(2-amino-1-hydroxyethyl)-1,3-dimethylimidazol-2-one?
The InChIKey is APXMVLUQEQXPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-9-4-5(6(11)3-8)10(2)7(9)12/h4,6,11H,3,8H2,1-2H3.
What are the key properties of 4-(2-amino-1-hydroxyethyl)-1,3-dimethylimidazol-2-one?
4-(2-amino-1-hydroxyethyl)-1,3-dimethylimidazol-2-one has a molecular weight of 171.20 g/mol, XLogP of -1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1-hydroxyethyl)-1,3-dimethylimidazol-2-one is sourced from PubChem (CID 83874088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).