1-(2-amino-4,5-dihydroimidazol-1-yl)butan-2-ol

C7H15N3O — CID 57140635

IUPAC1-(2-amino-4,5-dihydroimidazol-1-yl)butan-2-ol
SMILESCCC(O)CN1CCN=C1N
InChIInChI=1S/C7H15N3O/c1-2-6(11)5-10-4-3-9-7(10)8/h6,11H,2-5H2,1H3,(H2,8,9)
InChIKeyBBDVQKACEJHGTM-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.61
Rot. Bonds3

About 1-(2-amino-4,5-dihydroimidazol-1-yl)butan-2-ol

1-(2-amino-4,5-dihydroimidazol-1-yl)butan-2-ol (PubChem CID 57140635) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 1-(2-amino-4,5-dihydroimidazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name1-(2-amino-4,5-dihydroimidazol-1-yl)butan-2-ol
PubChem CID57140635
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name1-(2-amino-4,5-dihydroimidazol-1-yl)butan-2-ol
SMILESCCC(O)CN1CCN=C1N
InChIInChI=1S/C7H15N3O/c1-2-6(11)5-10-4-3-9-7(10)8/h6,11H,2-5H2,1H3,(H2,8,9)
InChIKeyBBDVQKACEJHGTM-UHFFFAOYSA-N
XLogP-0.61
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4,5-dihydroimidazol-1-yl)butan-2-ol?
The IUPAC name of 1-(2-amino-4,5-dihydroimidazol-1-yl)butan-2-ol (CID 57140635) is 1-(2-amino-4,5-dihydroimidazol-1-yl)butan-2-ol.
What is the SMILES notation for 1-(2-amino-4,5-dihydroimidazol-1-yl)butan-2-ol?
The canonical SMILES for 1-(2-amino-4,5-dihydroimidazol-1-yl)butan-2-ol is CCC(O)CN1CCN=C1N.
What is the InChIKey of 1-(2-amino-4,5-dihydroimidazol-1-yl)butan-2-ol?
The InChIKey is BBDVQKACEJHGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-2-6(11)5-10-4-3-9-7(10)8/h6,11H,2-5H2,1H3,(H2,8,9).
What are the key properties of 1-(2-amino-4,5-dihydroimidazol-1-yl)butan-2-ol?
1-(2-amino-4,5-dihydroimidazol-1-yl)butan-2-ol has a molecular weight of 157.22 g/mol, XLogP of -0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4,5-dihydroimidazol-1-yl)butan-2-ol is sourced from PubChem (CID 57140635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).