1-(2-aminoimidazol-1-yl)-2-methylpropan-2-ol

C7H13N3O — CID 165463249

IUPAC1-(2-aminoimidazol-1-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1ccnc1N
InChIInChI=1S/C7H13N3O/c1-7(2,11)5-10-4-3-9-6(10)8/h3-4,11H,5H2,1-2H3,(H2,8,9)
InChIKeyYDFUXAPIIFZROR-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.24
Rot. Bonds2

About 1-(2-aminoimidazol-1-yl)-2-methylpropan-2-ol

1-(2-aminoimidazol-1-yl)-2-methylpropan-2-ol (PubChem CID 165463249) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-(2-aminoimidazol-1-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(2-aminoimidazol-1-yl)-2-methylpropan-2-ol
PubChem CID165463249
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name1-(2-aminoimidazol-1-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1ccnc1N
InChIInChI=1S/C7H13N3O/c1-7(2,11)5-10-4-3-9-6(10)8/h3-4,11H,5H2,1-2H3,(H2,8,9)
InChIKeyYDFUXAPIIFZROR-UHFFFAOYSA-N
XLogP0.24
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoimidazol-1-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(2-aminoimidazol-1-yl)-2-methylpropan-2-ol (CID 165463249) is 1-(2-aminoimidazol-1-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(2-aminoimidazol-1-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(2-aminoimidazol-1-yl)-2-methylpropan-2-ol is CC(C)(O)Cn1ccnc1N.
What is the InChIKey of 1-(2-aminoimidazol-1-yl)-2-methylpropan-2-ol?
The InChIKey is YDFUXAPIIFZROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-7(2,11)5-10-4-3-9-6(10)8/h3-4,11H,5H2,1-2H3,(H2,8,9).
What are the key properties of 1-(2-aminoimidazol-1-yl)-2-methylpropan-2-ol?
1-(2-aminoimidazol-1-yl)-2-methylpropan-2-ol has a molecular weight of 155.20 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoimidazol-1-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 165463249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).