1-(1-ethylimidazol-2-yl)-3,3-dimethylbutane-1,2-diol

C11H20N2O2 — CID 103457324

IUPAC1-(1-ethylimidazol-2-yl)-3,3-dimethylbutane-1,2-diol
SMILESCCn1ccnc1C(O)C(O)C(C)(C)C
InChIInChI=1S/C11H20N2O2/c1-5-13-7-6-12-10(13)8(14)9(15)11(2,3)4/h6-9,14-15H,5H2,1-4H3
InChIKeyHXLMOXZKGNSPLL-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.34
Rot. Bonds3

About 1-(1-ethylimidazol-2-yl)-3,3-dimethylbutane-1,2-diol

1-(1-ethylimidazol-2-yl)-3,3-dimethylbutane-1,2-diol (PubChem CID 103457324) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-3,3-dimethylbutane-1,2-diol.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-3,3-dimethylbutane-1,2-diol
PubChem CID103457324
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-(1-ethylimidazol-2-yl)-3,3-dimethylbutane-1,2-diol
SMILESCCn1ccnc1C(O)C(O)C(C)(C)C
InChIInChI=1S/C11H20N2O2/c1-5-13-7-6-12-10(13)8(14)9(15)11(2,3)4/h6-9,14-15H,5H2,1-4H3
InChIKeyHXLMOXZKGNSPLL-UHFFFAOYSA-N
XLogP1.34
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1-ethylimidazol-2-yl)-3,3-dimethylbutane-1,2-diol 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

1-(1-ethylimidazol-2-yl)-2-methoxypropan-1-ol
CID 79616649
1-(1-ethylimidazol-2-yl)-2,2-dimethylbutan-1-ol
CID 115800026
1-cyclopropyl-2-(1-ethylimidazol-2-yl)ethane-1,2-diol
CID 103456993
3-(1-ethylimidazol-2-yl)-2,3-dihydroxypropanamide
CID 171869595
2-ethoxy-1-(1-ethylimidazol-2-yl)-3-methylbutan-1-ol
CID 116712316
2-(dimethylamino)-1-(1-ethylimidazol-2-yl)-2-methylbutan-1-ol
CID 79063348
2,2-dimethyl-1-(1-pentylimidazol-2-yl)propan-1-ol
CID 102490463
2-(azepan-1-yl)-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-ol
CID 79051803
1-(1-ethylimidazol-2-yl)-3,4,4-trimethylpentan-1-amine
CID 115860166
1-ethyl-2-[(1R)-1-iodoethyl]imidazole
CID 97177373
2-(1-bromoethyl)-1-ethylimidazole
CID 71635251
1-(1-ethylimidazol-2-yl)ethanamine
CID 63970415

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-3,3-dimethylbutane-1,2-diol?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-3,3-dimethylbutane-1,2-diol (CID 103457324) is 1-(1-ethylimidazol-2-yl)-3,3-dimethylbutane-1,2-diol.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-3,3-dimethylbutane-1,2-diol?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-3,3-dimethylbutane-1,2-diol is CCn1ccnc1C(O)C(O)C(C)(C)C.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-3,3-dimethylbutane-1,2-diol?
The InChIKey is HXLMOXZKGNSPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-5-13-7-6-12-10(13)8(14)9(15)11(2,3)4/h6-9,14-15H,5H2,1-4H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-3,3-dimethylbutane-1,2-diol?
1-(1-ethylimidazol-2-yl)-3,3-dimethylbutane-1,2-diol has a molecular weight of 212.29 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)-3,3-dimethylbutane-1,2-diol is sourced from PubChem (CID 103457324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).