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

C6H13N3O — CID 57046307

IUPAC1-(2-amino-4,5-dihydroimidazol-1-yl)propan-2-ol
SMILESCC(O)CN1CCN=C1N
InChIInChI=1S/C6H13N3O/c1-5(10)4-9-3-2-8-6(9)7/h5,10H,2-4H2,1H3,(H2,7,8)
InChIKeyBZMPFLIRNFHFRE-UHFFFAOYSA-N
MW143.19 g/mol
LogP-1.00
Rot. Bonds2

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

1-(2-amino-4,5-dihydroimidazol-1-yl)propan-2-ol (PubChem CID 57046307) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-(2-amino-4,5-dihydroimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-amino-4,5-dihydroimidazol-1-yl)propan-2-ol
PubChem CID57046307
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name1-(2-amino-4,5-dihydroimidazol-1-yl)propan-2-ol
SMILESCC(O)CN1CCN=C1N
InChIInChI=1S/C6H13N3O/c1-5(10)4-9-3-2-8-6(9)7/h5,10H,2-4H2,1H3,(H2,7,8)
InChIKeyBZMPFLIRNFHFRE-UHFFFAOYSA-N
XLogP-1.00
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-1.00
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)propan-2-ol?
The IUPAC name of 1-(2-amino-4,5-dihydroimidazol-1-yl)propan-2-ol (CID 57046307) is 1-(2-amino-4,5-dihydroimidazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(2-amino-4,5-dihydroimidazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(2-amino-4,5-dihydroimidazol-1-yl)propan-2-ol is CC(O)CN1CCN=C1N.
What is the InChIKey of 1-(2-amino-4,5-dihydroimidazol-1-yl)propan-2-ol?
The InChIKey is BZMPFLIRNFHFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c1-5(10)4-9-3-2-8-6(9)7/h5,10H,2-4H2,1H3,(H2,7,8).
What are the key properties of 1-(2-amino-4,5-dihydroimidazol-1-yl)propan-2-ol?
1-(2-amino-4,5-dihydroimidazol-1-yl)propan-2-ol has a molecular weight of 143.19 g/mol, XLogP of -1.00, 2 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)propan-2-ol is sourced from PubChem (CID 57046307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).