3-[5-(1-amino-2-hydroxyethyl)imidazol-1-yl]-N,2,2-trimethylpropanamide

C11H20N4O2 — CID 106278183

IUPAC3-[5-(1-amino-2-hydroxyethyl)imidazol-1-yl]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)Cn1cncc1C(N)CO
InChIInChI=1S/C11H20N4O2/c1-11(2,10(17)13-3)6-15-7-14-4-9(15)8(12)5-16/h4,7-8,16H,5-6,12H2,1-3H3,(H,13,17)
InChIKeyDKALZPZFYNRDBW-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.35
Rot. Bonds5

About 3-[5-(1-amino-2-hydroxyethyl)imidazol-1-yl]-N,2,2-trimethylpropanamide

3-[5-(1-amino-2-hydroxyethyl)imidazol-1-yl]-N,2,2-trimethylpropanamide (PubChem CID 106278183) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-[5-(1-amino-2-hydroxyethyl)imidazol-1-yl]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[5-(1-amino-2-hydroxyethyl)imidazol-1-yl]-N,2,2-trimethylpropanamide
PubChem CID106278183
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name3-[5-(1-amino-2-hydroxyethyl)imidazol-1-yl]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)Cn1cncc1C(N)CO
InChIInChI=1S/C11H20N4O2/c1-11(2,10(17)13-3)6-15-7-14-4-9(15)8(12)5-16/h4,7-8,16H,5-6,12H2,1-3H3,(H,13,17)
InChIKeyDKALZPZFYNRDBW-UHFFFAOYSA-N
XLogP-0.35
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-2,2-dimethylpropanamide
CID 106278142
2-amino-2-[3-(2-methylpropyl)imidazol-4-yl]ethanol
CID 83876289
2-amino-2-(3-tert-butylimidazol-4-yl)ethanol
CID 83876291
2-amino-2-[3-(cyclopropylmethyl)imidazol-4-yl]ethanol
CID 114703672
2-amino-2-[3-[2-(2-methoxyethoxy)ethyl]imidazol-4-yl]ethanol
CID 114704613
1-[3-(2,2-dimethylpropyl)imidazol-4-yl]ethanamine
CID 114704468
N,2,2-trimethyl-3-(5-piperidin-2-ylimidazol-1-yl)propanamide
CID 106278204
3-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N-methylpropanamide
CID 114705066
2-amino-2-[3-[2-(1-methylpiperidin-4-yl)ethyl]imidazol-4-yl]ethanol
CID 114707688
2-amino-2-[3-(3-ethoxypropyl)imidazol-4-yl]ethanol
CID 114703406
N,2,2-trimethyl-3-(2-oxo-1H-imidazol-3-yl)propanamide
CID 106276831
3-amino-3-(3-ethylimidazol-4-yl)propanoic acid
CID 66132745

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-amino-2-hydroxyethyl)imidazol-1-yl]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[5-(1-amino-2-hydroxyethyl)imidazol-1-yl]-N,2,2-trimethylpropanamide (CID 106278183) is 3-[5-(1-amino-2-hydroxyethyl)imidazol-1-yl]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[5-(1-amino-2-hydroxyethyl)imidazol-1-yl]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[5-(1-amino-2-hydroxyethyl)imidazol-1-yl]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)Cn1cncc1C(N)CO.
What is the InChIKey of 3-[5-(1-amino-2-hydroxyethyl)imidazol-1-yl]-N,2,2-trimethylpropanamide?
The InChIKey is DKALZPZFYNRDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-11(2,10(17)13-3)6-15-7-14-4-9(15)8(12)5-16/h4,7-8,16H,5-6,12H2,1-3H3,(H,13,17).
What are the key properties of 3-[5-(1-amino-2-hydroxyethyl)imidazol-1-yl]-N,2,2-trimethylpropanamide?
3-[5-(1-amino-2-hydroxyethyl)imidazol-1-yl]-N,2,2-trimethylpropanamide has a molecular weight of 240.31 g/mol, XLogP of -0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-amino-2-hydroxyethyl)imidazol-1-yl]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106278183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).