1-[4-(hydroxymethyl)imidazol-1-yl]propan-2-ol

C7H12N2O2 — CID 106717444

IUPAC1-[4-(hydroxymethyl)imidazol-1-yl]propan-2-ol
SMILESCC(O)Cn1cnc(CO)c1
InChIInChI=1S/C7H12N2O2/c1-6(11)2-9-3-7(4-10)8-5-9/h3,5-6,10-11H,2,4H2,1H3
InChIKeyGFIMFGPSWUZBML-UHFFFAOYSA-N
MW156.18 g/mol
LogP-0.24
Rot. Bonds3

About 1-[4-(hydroxymethyl)imidazol-1-yl]propan-2-ol

1-[4-(hydroxymethyl)imidazol-1-yl]propan-2-ol (PubChem CID 106717444) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)imidazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)imidazol-1-yl]propan-2-ol
PubChem CID106717444
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name1-[4-(hydroxymethyl)imidazol-1-yl]propan-2-ol
SMILESCC(O)Cn1cnc(CO)c1
InChIInChI=1S/C7H12N2O2/c1-6(11)2-9-3-7(4-10)8-5-9/h3,5-6,10-11H,2,4H2,1H3
InChIKeyGFIMFGPSWUZBML-UHFFFAOYSA-N
XLogP-0.24
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)imidazol-1-yl]propan-2-ol?
The IUPAC name of 1-[4-(hydroxymethyl)imidazol-1-yl]propan-2-ol (CID 106717444) is 1-[4-(hydroxymethyl)imidazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-[4-(hydroxymethyl)imidazol-1-yl]propan-2-ol?
The canonical SMILES for 1-[4-(hydroxymethyl)imidazol-1-yl]propan-2-ol is CC(O)Cn1cnc(CO)c1.
What is the InChIKey of 1-[4-(hydroxymethyl)imidazol-1-yl]propan-2-ol?
The InChIKey is GFIMFGPSWUZBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-6(11)2-9-3-7(4-10)8-5-9/h3,5-6,10-11H,2,4H2,1H3.
What are the key properties of 1-[4-(hydroxymethyl)imidazol-1-yl]propan-2-ol?
1-[4-(hydroxymethyl)imidazol-1-yl]propan-2-ol has a molecular weight of 156.18 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)imidazol-1-yl]propan-2-ol is sourced from PubChem (CID 106717444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).