(2-amino-4,5-dihydroimidazol-1-yl)methanol

C4H9N3O — CID 57147354

IUPAC(2-amino-4,5-dihydroimidazol-1-yl)methanol
SMILESNC1=NCCN1CO
InChIInChI=1S/C4H9N3O/c5-4-6-1-2-7(4)3-8/h8H,1-3H2,(H2,5,6)
InChIKeyKYNXQPJNWRFRTJ-UHFFFAOYSA-N
MW115.14 g/mol
LogP-1.43
Rot. Bonds1

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

(2-amino-4,5-dihydroimidazol-1-yl)methanol (PubChem CID 57147354) has the molecular formula C4H9N3O and a molecular weight of 115.14 g/mol. Its IUPAC name is (2-amino-4,5-dihydroimidazol-1-yl)methanol.

Molecular Properties

Compound Name(2-amino-4,5-dihydroimidazol-1-yl)methanol
PubChem CID57147354
Molecular FormulaC4H9N3O
Molecular Weight115.14 g/mol
Exact Mass115.07
IUPAC Name(2-amino-4,5-dihydroimidazol-1-yl)methanol
SMILESNC1=NCCN1CO
InChIInChI=1S/C4H9N3O/c5-4-6-1-2-7(4)3-8/h8H,1-3H2,(H2,5,6)
InChIKeyKYNXQPJNWRFRTJ-UHFFFAOYSA-N
XLogP-1.43
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.14
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-4,5-dihydroimidazol-1-yl)methanol?
The IUPAC name of (2-amino-4,5-dihydroimidazol-1-yl)methanol (CID 57147354) is (2-amino-4,5-dihydroimidazol-1-yl)methanol.
What is the SMILES notation for (2-amino-4,5-dihydroimidazol-1-yl)methanol?
The canonical SMILES for (2-amino-4,5-dihydroimidazol-1-yl)methanol is NC1=NCCN1CO.
What is the InChIKey of (2-amino-4,5-dihydroimidazol-1-yl)methanol?
The InChIKey is KYNXQPJNWRFRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O/c5-4-6-1-2-7(4)3-8/h8H,1-3H2,(H2,5,6).
What are the key properties of (2-amino-4,5-dihydroimidazol-1-yl)methanol?
(2-amino-4,5-dihydroimidazol-1-yl)methanol has a molecular weight of 115.14 g/mol, XLogP of -1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4,5-dihydroimidazol-1-yl)methanol is sourced from PubChem (CID 57147354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).