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

C6H12N2O — CID 54174149

IUPAC2-(4,5-dihydroimidazol-1-yl)propan-1-ol
SMILESCC(CO)N1C=NCC1
InChIInChI=1S/C6H12N2O/c1-6(4-9)8-3-2-7-5-8/h5-6,9H,2-4H2,1H3
InChIKeyOXBPHINWIUDBAD-UHFFFAOYSA-N
MW128.18 g/mol
LogP-0.29
Rot. Bonds2

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

2-(4,5-dihydroimidazol-1-yl)propan-1-ol (PubChem CID 54174149) has the molecular formula C6H12N2O and a molecular weight of 128.18 g/mol. Its IUPAC name is 2-(4,5-dihydroimidazol-1-yl)propan-1-ol.

Molecular Properties

Compound Name2-(4,5-dihydroimidazol-1-yl)propan-1-ol
PubChem CID54174149
Molecular FormulaC6H12N2O
Molecular Weight128.18 g/mol
Exact Mass128.09
IUPAC Name2-(4,5-dihydroimidazol-1-yl)propan-1-ol
SMILESCC(CO)N1C=NCC1
InChIInChI=1S/C6H12N2O/c1-6(4-9)8-3-2-7-5-8/h5-6,9H,2-4H2,1H3
InChIKeyOXBPHINWIUDBAD-UHFFFAOYSA-N
XLogP-0.29
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydroimidazol-1-yl)propan-1-ol?
The IUPAC name of 2-(4,5-dihydroimidazol-1-yl)propan-1-ol (CID 54174149) is 2-(4,5-dihydroimidazol-1-yl)propan-1-ol.
What is the SMILES notation for 2-(4,5-dihydroimidazol-1-yl)propan-1-ol?
The canonical SMILES for 2-(4,5-dihydroimidazol-1-yl)propan-1-ol is CC(CO)N1C=NCC1.
What is the InChIKey of 2-(4,5-dihydroimidazol-1-yl)propan-1-ol?
The InChIKey is OXBPHINWIUDBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-6(4-9)8-3-2-7-5-8/h5-6,9H,2-4H2,1H3.
What are the key properties of 2-(4,5-dihydroimidazol-1-yl)propan-1-ol?
2-(4,5-dihydroimidazol-1-yl)propan-1-ol has a molecular weight of 128.18 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydroimidazol-1-yl)propan-1-ol is sourced from PubChem (CID 54174149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).