1-(2-amino-4H-imidazol-5-yl)-2-methylpropan-1-one

C7H11N3O — CID 159039087

IUPAC1-(2-amino-4H-imidazol-5-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)C1=NC(N)=NC1
InChIInChI=1S/C7H11N3O/c1-4(2)6(11)5-3-9-7(8)10-5/h4H,3H2,1-2H3,(H2,8,9)
InChIKeyZNHBDPZCDPKJKU-UHFFFAOYSA-N
MW153.18 g/mol
LogP-0.02
Rot. Bonds2

About 1-(2-amino-4H-imidazol-5-yl)-2-methylpropan-1-one

1-(2-amino-4H-imidazol-5-yl)-2-methylpropan-1-one (PubChem CID 159039087) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 1-(2-amino-4H-imidazol-5-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2-amino-4H-imidazol-5-yl)-2-methylpropan-1-one
PubChem CID159039087
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name1-(2-amino-4H-imidazol-5-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)C1=NC(N)=NC1
InChIInChI=1S/C7H11N3O/c1-4(2)6(11)5-3-9-7(8)10-5/h4H,3H2,1-2H3,(H2,8,9)
InChIKeyZNHBDPZCDPKJKU-UHFFFAOYSA-N
XLogP-0.02
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4H-imidazol-5-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(2-amino-4H-imidazol-5-yl)-2-methylpropan-1-one (CID 159039087) is 1-(2-amino-4H-imidazol-5-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(2-amino-4H-imidazol-5-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(2-amino-4H-imidazol-5-yl)-2-methylpropan-1-one is CC(C)C(=O)C1=NC(N)=NC1.
What is the InChIKey of 1-(2-amino-4H-imidazol-5-yl)-2-methylpropan-1-one?
The InChIKey is ZNHBDPZCDPKJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-4(2)6(11)5-3-9-7(8)10-5/h4H,3H2,1-2H3,(H2,8,9).
What are the key properties of 1-(2-amino-4H-imidazol-5-yl)-2-methylpropan-1-one?
1-(2-amino-4H-imidazol-5-yl)-2-methylpropan-1-one has a molecular weight of 153.18 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4H-imidazol-5-yl)-2-methylpropan-1-one is sourced from PubChem (CID 159039087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).