3-(1H-imidazol-2-yl)propane-1,2-diol

C6H10N2O2 — CID 22733347

IUPAC3-(1H-imidazol-2-yl)propane-1,2-diol
SMILESOCC(O)Cc1ncc[nH]1
InChIInChI=1S/C6H10N2O2/c9-4-5(10)3-6-7-1-2-8-6/h1-2,5,9-10H,3-4H2,(H,7,8)
InChIKeyLSIAFBPICWRWLE-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.69
Rot. Bonds3

About 3-(1H-imidazol-2-yl)propane-1,2-diol

3-(1H-imidazol-2-yl)propane-1,2-diol (PubChem CID 22733347) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 3-(1H-imidazol-2-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-(1H-imidazol-2-yl)propane-1,2-diol
PubChem CID22733347
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name3-(1H-imidazol-2-yl)propane-1,2-diol
SMILESOCC(O)Cc1ncc[nH]1
InChIInChI=1S/C6H10N2O2/c9-4-5(10)3-6-7-1-2-8-6/h1-2,5,9-10H,3-4H2,(H,7,8)
InChIKeyLSIAFBPICWRWLE-UHFFFAOYSA-N
XLogP-0.69
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-yl)propane-1,2-diol?
The IUPAC name of 3-(1H-imidazol-2-yl)propane-1,2-diol (CID 22733347) is 3-(1H-imidazol-2-yl)propane-1,2-diol.
What is the SMILES notation for 3-(1H-imidazol-2-yl)propane-1,2-diol?
The canonical SMILES for 3-(1H-imidazol-2-yl)propane-1,2-diol is OCC(O)Cc1ncc[nH]1.
What is the InChIKey of 3-(1H-imidazol-2-yl)propane-1,2-diol?
The InChIKey is LSIAFBPICWRWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c9-4-5(10)3-6-7-1-2-8-6/h1-2,5,9-10H,3-4H2,(H,7,8).
What are the key properties of 3-(1H-imidazol-2-yl)propane-1,2-diol?
3-(1H-imidazol-2-yl)propane-1,2-diol has a molecular weight of 142.16 g/mol, XLogP of -0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-yl)propane-1,2-diol is sourced from PubChem (CID 22733347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).