[5-(oxan-4-yl)-1H-imidazol-2-yl]methanol

C9H14N2O2 — CID 116878347

IUPAC[5-(oxan-4-yl)-1H-imidazol-2-yl]methanol
SMILESOCc1ncc(C2CCOCC2)[nH]1
InChIInChI=1S/C9H14N2O2/c12-6-9-10-5-8(11-9)7-1-3-13-4-2-7/h5,7,12H,1-4,6H2,(H,10,11)
InChIKeyPCPWXNWENVGSLB-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.80
Rot. Bonds2

About [5-(oxan-4-yl)-1H-imidazol-2-yl]methanol

[5-(oxan-4-yl)-1H-imidazol-2-yl]methanol (PubChem CID 116878347) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is [5-(oxan-4-yl)-1H-imidazol-2-yl]methanol.

Molecular Properties

Compound Name[5-(oxan-4-yl)-1H-imidazol-2-yl]methanol
PubChem CID116878347
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name[5-(oxan-4-yl)-1H-imidazol-2-yl]methanol
SMILESOCc1ncc(C2CCOCC2)[nH]1
InChIInChI=1S/C9H14N2O2/c12-6-9-10-5-8(11-9)7-1-3-13-4-2-7/h5,7,12H,1-4,6H2,(H,10,11)
InChIKeyPCPWXNWENVGSLB-UHFFFAOYSA-N
XLogP0.80
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(oxan-4-yl)-1H-imidazol-2-yl]methanol?
The IUPAC name of [5-(oxan-4-yl)-1H-imidazol-2-yl]methanol (CID 116878347) is [5-(oxan-4-yl)-1H-imidazol-2-yl]methanol.
What is the SMILES notation for [5-(oxan-4-yl)-1H-imidazol-2-yl]methanol?
The canonical SMILES for [5-(oxan-4-yl)-1H-imidazol-2-yl]methanol is OCc1ncc(C2CCOCC2)[nH]1.
What is the InChIKey of [5-(oxan-4-yl)-1H-imidazol-2-yl]methanol?
The InChIKey is PCPWXNWENVGSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c12-6-9-10-5-8(11-9)7-1-3-13-4-2-7/h5,7,12H,1-4,6H2,(H,10,11).
What are the key properties of [5-(oxan-4-yl)-1H-imidazol-2-yl]methanol?
[5-(oxan-4-yl)-1H-imidazol-2-yl]methanol has a molecular weight of 182.22 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(oxan-4-yl)-1H-imidazol-2-yl]methanol is sourced from PubChem (CID 116878347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).