(1-methylimidazol-2-yl)-(1,4-oxathian-2-yl)methanol

C9H14N2O2S — CID 79963194

IUPAC(1-methylimidazol-2-yl)-(1,4-oxathian-2-yl)methanol
SMILESCn1ccnc1C(O)C1CSCCO1
InChIInChI=1S/C9H14N2O2S/c1-11-3-2-10-9(11)8(12)7-6-14-5-4-13-7/h2-3,7-8,12H,4-6H2,1H3
InChIKeyKOQVHDZKYRZPHJ-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.59
Rot. Bonds2

About (1-methylimidazol-2-yl)-(1,4-oxathian-2-yl)methanol

(1-methylimidazol-2-yl)-(1,4-oxathian-2-yl)methanol (PubChem CID 79963194) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-(1,4-oxathian-2-yl)methanol.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-(1,4-oxathian-2-yl)methanol
PubChem CID79963194
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name(1-methylimidazol-2-yl)-(1,4-oxathian-2-yl)methanol
SMILESCn1ccnc1C(O)C1CSCCO1
InChIInChI=1S/C9H14N2O2S/c1-11-3-2-10-9(11)8(12)7-6-14-5-4-13-7/h2-3,7-8,12H,4-6H2,1H3
InChIKeyKOQVHDZKYRZPHJ-UHFFFAOYSA-N
XLogP0.59
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1-methylimidazol-2-yl)-(1,4-oxathian-2-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

Related Compounds

(4-(1-methyl-1H-imidazol-2-yl)morpholin-2-yl)methanol
CID 81219518
1-Butyl-2-(1,4-dioxan-2-yl)imidazole
CID 91292154
1-Butylsulfanyl-3-imidazol-1-ylpropan-2-ol
CID 21423780
1-Imidazol-1-yl-3-propan-2-ylsulfanylpropan-2-ol
CID 21423832
1-Imidazol-1-yl-3-propylsulfanylpropan-2-ol
CID 21423839
1-Ethylsulfanyl-3-imidazol-1-ylpropan-2-ol
CID 21423856
1-(1-Methylimidazol-2-yl)propane-1,2-diol
CID 91271484
1-Butoxy-3-(2-ethylimidazol-1-yl)propan-2-ol
CID 107264021
1-Imidazol-1-yl-3-(3-methoxysulfanylpropoxy)propan-2-ol
CID 117805676
1-(1-Methyl-1H-imidazol-2-yl)ethane-1,2-diol
CID 131120144
1-(3-Imidazol-1-ylpropylsulfanyl)butane-2,3-diol
CID 160416427
2-(1-Methoxypropyl)-1-(3-methylsulfanylpropyl)imidazole
CID 170167415

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-(1,4-oxathian-2-yl)methanol?
The IUPAC name of (1-methylimidazol-2-yl)-(1,4-oxathian-2-yl)methanol (CID 79963194) is (1-methylimidazol-2-yl)-(1,4-oxathian-2-yl)methanol.
What is the SMILES notation for (1-methylimidazol-2-yl)-(1,4-oxathian-2-yl)methanol?
The canonical SMILES for (1-methylimidazol-2-yl)-(1,4-oxathian-2-yl)methanol is Cn1ccnc1C(O)C1CSCCO1.
What is the InChIKey of (1-methylimidazol-2-yl)-(1,4-oxathian-2-yl)methanol?
The InChIKey is KOQVHDZKYRZPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-11-3-2-10-9(11)8(12)7-6-14-5-4-13-7/h2-3,7-8,12H,4-6H2,1H3.
What are the key properties of (1-methylimidazol-2-yl)-(1,4-oxathian-2-yl)methanol?
(1-methylimidazol-2-yl)-(1,4-oxathian-2-yl)methanol has a molecular weight of 214.29 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-(1,4-oxathian-2-yl)methanol is sourced from PubChem (CID 79963194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).