2-[5-chloro-4-(dimethylamino)-2-methylimidazol-1-yl]ethanol

C8H14ClN3O — CID 23064430

IUPAC2-[5-chloro-4-(dimethylamino)-2-methylimidazol-1-yl]ethanol
SMILESCc1nc(N(C)C)c(Cl)n1CCO
InChIInChI=1S/C8H14ClN3O/c1-6-10-8(11(2)3)7(9)12(6)4-5-13/h13H,4-5H2,1-3H3
InChIKeyBDLCUOQWFWNKMI-UHFFFAOYSA-N
MW203.67 g/mol
LogP0.90
Rot. Bonds3

About 2-[5-chloro-4-(dimethylamino)-2-methylimidazol-1-yl]ethanol

2-[5-chloro-4-(dimethylamino)-2-methylimidazol-1-yl]ethanol (PubChem CID 23064430) has the molecular formula C8H14ClN3O and a molecular weight of 203.67 g/mol. Its IUPAC name is 2-[5-chloro-4-(dimethylamino)-2-methylimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-chloro-4-(dimethylamino)-2-methylimidazol-1-yl]ethanol
PubChem CID23064430
Molecular FormulaC8H14ClN3O
Molecular Weight203.67 g/mol
Exact Mass203.08
IUPAC Name2-[5-chloro-4-(dimethylamino)-2-methylimidazol-1-yl]ethanol
SMILESCc1nc(N(C)C)c(Cl)n1CCO
InChIInChI=1S/C8H14ClN3O/c1-6-10-8(11(2)3)7(9)12(6)4-5-13/h13H,4-5H2,1-3H3
InChIKeyBDLCUOQWFWNKMI-UHFFFAOYSA-N
XLogP0.90
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[5-chloro-4-(dimethylamino)-2-methylimidazol-1-yl]ethanol 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-[5-chloro-4-(dimethylamino)-2-methylimidazol-1-yl]ethanol?
The IUPAC name of 2-[5-chloro-4-(dimethylamino)-2-methylimidazol-1-yl]ethanol (CID 23064430) is 2-[5-chloro-4-(dimethylamino)-2-methylimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-chloro-4-(dimethylamino)-2-methylimidazol-1-yl]ethanol?
The canonical SMILES for 2-[5-chloro-4-(dimethylamino)-2-methylimidazol-1-yl]ethanol is Cc1nc(N(C)C)c(Cl)n1CCO.
What is the InChIKey of 2-[5-chloro-4-(dimethylamino)-2-methylimidazol-1-yl]ethanol?
The InChIKey is BDLCUOQWFWNKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3O/c1-6-10-8(11(2)3)7(9)12(6)4-5-13/h13H,4-5H2,1-3H3.
What are the key properties of 2-[5-chloro-4-(dimethylamino)-2-methylimidazol-1-yl]ethanol?
2-[5-chloro-4-(dimethylamino)-2-methylimidazol-1-yl]ethanol has a molecular weight of 203.67 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-4-(dimethylamino)-2-methylimidazol-1-yl]ethanol is sourced from PubChem (CID 23064430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).