2-(2-chlorophenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole

C13H17ClN2O — CID 2843804

IUPAC2-(2-chlorophenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole
SMILESCCC1=NC(c2ccccc2Cl)N(O)C1(C)C
InChIInChI=1S/C13H17ClN2O/c1-4-11-13(2,3)16(17)12(15-11)9-7-5-6-8-10(9)14/h5-8,12,17H,4H2,1-3H3
InChIKeyBUIRTXSLMZIEIN-UHFFFAOYSA-N
MW252.75 g/mol
LogP3.67
Rot. Bonds2

About 2-(2-chlorophenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole

2-(2-chlorophenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole (PubChem CID 2843804) has the molecular formula C13H17ClN2O and a molecular weight of 252.75 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole
PubChem CID2843804
Molecular FormulaC13H17ClN2O
Molecular Weight252.75 g/mol
Exact Mass252.10
IUPAC Name2-(2-chlorophenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole
SMILESCCC1=NC(c2ccccc2Cl)N(O)C1(C)C
InChIInChI=1S/C13H17ClN2O/c1-4-11-13(2,3)16(17)12(15-11)9-7-5-6-8-10(9)14/h5-8,12,17H,4H2,1-3H3
InChIKeyBUIRTXSLMZIEIN-UHFFFAOYSA-N
XLogP3.67
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole?
The IUPAC name of 2-(2-chlorophenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole (CID 2843804) is 2-(2-chlorophenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole.
What is the SMILES notation for 2-(2-chlorophenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole?
The canonical SMILES for 2-(2-chlorophenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole is CCC1=NC(c2ccccc2Cl)N(O)C1(C)C.
What is the InChIKey of 2-(2-chlorophenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole?
The InChIKey is BUIRTXSLMZIEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-4-11-13(2,3)16(17)12(15-11)9-7-5-6-8-10(9)14/h5-8,12,17H,4H2,1-3H3.
What are the key properties of 2-(2-chlorophenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole?
2-(2-chlorophenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole has a molecular weight of 252.75 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole is sourced from PubChem (CID 2843804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).