1-(1-methylimidazol-2-yl)ethane-1,2-diol

C6H10N2O2 — CID 131120144

IUPAC1-(1-methylimidazol-2-yl)ethane-1,2-diol
SMILESCn1ccnc1C(O)CO
InChIInChI=1S/C6H10N2O2/c1-8-3-2-7-6(8)5(10)4-9/h2-3,5,9-10H,4H2,1H3
InChIKeyHOQKLZYQLKQXFL-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.55
Rot. Bonds2

About 1-(1-methylimidazol-2-yl)ethane-1,2-diol

1-(1-methylimidazol-2-yl)ethane-1,2-diol (PubChem CID 131120144) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)ethane-1,2-diol
PubChem CID131120144
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name1-(1-methylimidazol-2-yl)ethane-1,2-diol
SMILESCn1ccnc1C(O)CO
InChIInChI=1S/C6H10N2O2/c1-8-3-2-7-6(8)5(10)4-9/h2-3,5,9-10H,4H2,1H3
InChIKeyHOQKLZYQLKQXFL-UHFFFAOYSA-N
XLogP-0.55
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1-methylimidazol-2-yl)ethane-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

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)ethane-1,2-diol?
The IUPAC name of 1-(1-methylimidazol-2-yl)ethane-1,2-diol (CID 131120144) is 1-(1-methylimidazol-2-yl)ethane-1,2-diol.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)ethane-1,2-diol?
The canonical SMILES for 1-(1-methylimidazol-2-yl)ethane-1,2-diol is Cn1ccnc1C(O)CO.
What is the InChIKey of 1-(1-methylimidazol-2-yl)ethane-1,2-diol?
The InChIKey is HOQKLZYQLKQXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-8-3-2-7-6(8)5(10)4-9/h2-3,5,9-10H,4H2,1H3.
What are the key properties of 1-(1-methylimidazol-2-yl)ethane-1,2-diol?
1-(1-methylimidazol-2-yl)ethane-1,2-diol has a molecular weight of 142.16 g/mol, XLogP of -0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)ethane-1,2-diol is sourced from PubChem (CID 131120144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).