2-[5-(1-amino-3-methylbutan-2-yl)imidazol-1-yl]-N-methylpropanamide

C12H22N4O — CID 107444118

IUPAC2-[5-(1-amino-3-methylbutan-2-yl)imidazol-1-yl]-N-methylpropanamide
SMILESCNC(=O)C(C)n1cncc1C(CN)C(C)C
InChIInChI=1S/C12H22N4O/c1-8(2)10(5-13)11-6-15-7-16(11)9(3)12(17)14-4/h6-10H,5,13H2,1-4H3,(H,14,17)
InChIKeyBMLKZADFMCASLT-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.89
Rot. Bonds5

About 2-[5-(1-amino-3-methylbutan-2-yl)imidazol-1-yl]-N-methylpropanamide

2-[5-(1-amino-3-methylbutan-2-yl)imidazol-1-yl]-N-methylpropanamide (PubChem CID 107444118) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[5-(1-amino-3-methylbutan-2-yl)imidazol-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name2-[5-(1-amino-3-methylbutan-2-yl)imidazol-1-yl]-N-methylpropanamide
PubChem CID107444118
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-[5-(1-amino-3-methylbutan-2-yl)imidazol-1-yl]-N-methylpropanamide
SMILESCNC(=O)C(C)n1cncc1C(CN)C(C)C
InChIInChI=1S/C12H22N4O/c1-8(2)10(5-13)11-6-15-7-16(11)9(3)12(17)14-4/h6-10H,5,13H2,1-4H3,(H,14,17)
InChIKeyBMLKZADFMCASLT-UHFFFAOYSA-N
XLogP0.89
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-amino-3-methylbutan-2-yl)imidazol-1-yl]-N-methylpropanamide?
The IUPAC name of 2-[5-(1-amino-3-methylbutan-2-yl)imidazol-1-yl]-N-methylpropanamide (CID 107444118) is 2-[5-(1-amino-3-methylbutan-2-yl)imidazol-1-yl]-N-methylpropanamide.
What is the SMILES notation for 2-[5-(1-amino-3-methylbutan-2-yl)imidazol-1-yl]-N-methylpropanamide?
The canonical SMILES for 2-[5-(1-amino-3-methylbutan-2-yl)imidazol-1-yl]-N-methylpropanamide is CNC(=O)C(C)n1cncc1C(CN)C(C)C.
What is the InChIKey of 2-[5-(1-amino-3-methylbutan-2-yl)imidazol-1-yl]-N-methylpropanamide?
The InChIKey is BMLKZADFMCASLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-8(2)10(5-13)11-6-15-7-16(11)9(3)12(17)14-4/h6-10H,5,13H2,1-4H3,(H,14,17).
What are the key properties of 2-[5-(1-amino-3-methylbutan-2-yl)imidazol-1-yl]-N-methylpropanamide?
2-[5-(1-amino-3-methylbutan-2-yl)imidazol-1-yl]-N-methylpropanamide has a molecular weight of 238.33 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-amino-3-methylbutan-2-yl)imidazol-1-yl]-N-methylpropanamide is sourced from PubChem (CID 107444118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).