1-[3-(2-hydroxypropyl)-2H-imidazol-1-yl]propan-2-ol

C9H18N2O2 — CID 69236129

IUPAC1-[3-(2-hydroxypropyl)-2H-imidazol-1-yl]propan-2-ol
SMILESCC(O)CN1C=CN(CC(C)O)C1
InChIInChI=1S/C9H18N2O2/c1-8(12)5-10-3-4-11(7-10)6-9(2)13/h3-4,8-9,12-13H,5-7H2,1-2H3
InChIKeyWTMHFAOAZNELFJ-UHFFFAOYSA-N
MW186.26 g/mol
LogP-0.21
Rot. Bonds4

About 1-[3-(2-hydroxypropyl)-2H-imidazol-1-yl]propan-2-ol

1-[3-(2-hydroxypropyl)-2H-imidazol-1-yl]propan-2-ol (PubChem CID 69236129) has the molecular formula C9H18N2O2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1-[3-(2-hydroxypropyl)-2H-imidazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[3-(2-hydroxypropyl)-2H-imidazol-1-yl]propan-2-ol
PubChem CID69236129
Molecular FormulaC9H18N2O2
Molecular Weight186.26 g/mol
Exact Mass186.14
IUPAC Name1-[3-(2-hydroxypropyl)-2H-imidazol-1-yl]propan-2-ol
SMILESCC(O)CN1C=CN(CC(C)O)C1
InChIInChI=1S/C9H18N2O2/c1-8(12)5-10-3-4-11(7-10)6-9(2)13/h3-4,8-9,12-13H,5-7H2,1-2H3
InChIKeyWTMHFAOAZNELFJ-UHFFFAOYSA-N
XLogP-0.21
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-hydroxypropyl)-2H-imidazol-1-yl]propan-2-ol?
The IUPAC name of 1-[3-(2-hydroxypropyl)-2H-imidazol-1-yl]propan-2-ol (CID 69236129) is 1-[3-(2-hydroxypropyl)-2H-imidazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-[3-(2-hydroxypropyl)-2H-imidazol-1-yl]propan-2-ol?
The canonical SMILES for 1-[3-(2-hydroxypropyl)-2H-imidazol-1-yl]propan-2-ol is CC(O)CN1C=CN(CC(C)O)C1.
What is the InChIKey of 1-[3-(2-hydroxypropyl)-2H-imidazol-1-yl]propan-2-ol?
The InChIKey is WTMHFAOAZNELFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-8(12)5-10-3-4-11(7-10)6-9(2)13/h3-4,8-9,12-13H,5-7H2,1-2H3.
What are the key properties of 1-[3-(2-hydroxypropyl)-2H-imidazol-1-yl]propan-2-ol?
1-[3-(2-hydroxypropyl)-2H-imidazol-1-yl]propan-2-ol has a molecular weight of 186.26 g/mol, XLogP of -0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxypropyl)-2H-imidazol-1-yl]propan-2-ol is sourced from PubChem (CID 69236129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).