4-(imidazol-1-ylmethyl)oxan-4-ol

C9H14N2O2 — CID 126856777

IUPAC4-(imidazol-1-ylmethyl)oxan-4-ol
SMILESOC1(Cn2ccnc2)CCOCC1
InChIInChI=1S/C9H14N2O2/c12-9(1-5-13-6-2-9)7-11-4-3-10-8-11/h3-4,8,12H,1-2,5-7H2
InChIKeyRMVIGHZVVLFZBW-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.42
Rot. Bonds2

About 4-(imidazol-1-ylmethyl)oxan-4-ol

4-(imidazol-1-ylmethyl)oxan-4-ol (PubChem CID 126856777) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)oxan-4-ol.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)oxan-4-ol
PubChem CID126856777
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name4-(imidazol-1-ylmethyl)oxan-4-ol
SMILESOC1(Cn2ccnc2)CCOCC1
InChIInChI=1S/C9H14N2O2/c12-9(1-5-13-6-2-9)7-11-4-3-10-8-11/h3-4,8,12H,1-2,5-7H2
InChIKeyRMVIGHZVVLFZBW-UHFFFAOYSA-N
XLogP0.42
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)oxan-4-ol?
The IUPAC name of 4-(imidazol-1-ylmethyl)oxan-4-ol (CID 126856777) is 4-(imidazol-1-ylmethyl)oxan-4-ol.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)oxan-4-ol?
The canonical SMILES for 4-(imidazol-1-ylmethyl)oxan-4-ol is OC1(Cn2ccnc2)CCOCC1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)oxan-4-ol?
The InChIKey is RMVIGHZVVLFZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c12-9(1-5-13-6-2-9)7-11-4-3-10-8-11/h3-4,8,12H,1-2,5-7H2.
What are the key properties of 4-(imidazol-1-ylmethyl)oxan-4-ol?
4-(imidazol-1-ylmethyl)oxan-4-ol has a molecular weight of 182.22 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)oxan-4-ol is sourced from PubChem (CID 126856777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).