(2,3-dimethylimidazol-4-yl)-(oxan-4-yl)methanol

C11H18N2O2 — CID 141452766

IUPAC(2,3-dimethylimidazol-4-yl)-(oxan-4-yl)methanol
SMILESCc1ncc(C(O)C2CCOCC2)n1C
InChIInChI=1S/C11H18N2O2/c1-8-12-7-10(13(8)2)11(14)9-3-5-15-6-4-9/h7,9,11,14H,3-6H2,1-2H3
InChIKeyMFWXRVWOTXZXKM-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.19
Rot. Bonds2

About (2,3-dimethylimidazol-4-yl)-(oxan-4-yl)methanol

(2,3-dimethylimidazol-4-yl)-(oxan-4-yl)methanol (PubChem CID 141452766) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (2,3-dimethylimidazol-4-yl)-(oxan-4-yl)methanol.

Molecular Properties

Compound Name(2,3-dimethylimidazol-4-yl)-(oxan-4-yl)methanol
PubChem CID141452766
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name(2,3-dimethylimidazol-4-yl)-(oxan-4-yl)methanol
SMILESCc1ncc(C(O)C2CCOCC2)n1C
InChIInChI=1S/C11H18N2O2/c1-8-12-7-10(13(8)2)11(14)9-3-5-15-6-4-9/h7,9,11,14H,3-6H2,1-2H3
InChIKeyMFWXRVWOTXZXKM-UHFFFAOYSA-N
XLogP1.19
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2,3-dimethylimidazol-4-yl)-(oxan-4-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylimidazol-4-yl)-(oxan-4-yl)methanol?
The IUPAC name of (2,3-dimethylimidazol-4-yl)-(oxan-4-yl)methanol (CID 141452766) is (2,3-dimethylimidazol-4-yl)-(oxan-4-yl)methanol.
What is the SMILES notation for (2,3-dimethylimidazol-4-yl)-(oxan-4-yl)methanol?
The canonical SMILES for (2,3-dimethylimidazol-4-yl)-(oxan-4-yl)methanol is Cc1ncc(C(O)C2CCOCC2)n1C.
What is the InChIKey of (2,3-dimethylimidazol-4-yl)-(oxan-4-yl)methanol?
The InChIKey is MFWXRVWOTXZXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8-12-7-10(13(8)2)11(14)9-3-5-15-6-4-9/h7,9,11,14H,3-6H2,1-2H3.
What are the key properties of (2,3-dimethylimidazol-4-yl)-(oxan-4-yl)methanol?
(2,3-dimethylimidazol-4-yl)-(oxan-4-yl)methanol has a molecular weight of 210.28 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylimidazol-4-yl)-(oxan-4-yl)methanol is sourced from PubChem (CID 141452766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).