2-tert-butyl-4-(2,4-dichlorophenyl)-1-hydroxyimidazole

C13H14Cl2N2O — CID 70139487

IUPAC2-tert-butyl-4-(2,4-dichlorophenyl)-1-hydroxyimidazole
SMILESCC(C)(C)c1nc(-c2ccc(Cl)cc2Cl)cn1O
InChIInChI=1S/C13H14Cl2N2O/c1-13(2,3)12-16-11(7-17(12)18)9-5-4-8(14)6-10(9)15/h4-7,18H,1-3H3
InChIKeyYDSZFCPLCKBYIS-UHFFFAOYSA-N
MW285.17 g/mol
LogP4.39
Rot. Bonds1

About 2-tert-butyl-4-(2,4-dichlorophenyl)-1-hydroxyimidazole

2-tert-butyl-4-(2,4-dichlorophenyl)-1-hydroxyimidazole (PubChem CID 70139487) has the molecular formula C13H14Cl2N2O and a molecular weight of 285.17 g/mol. Its IUPAC name is 2-tert-butyl-4-(2,4-dichlorophenyl)-1-hydroxyimidazole.

Molecular Properties

Compound Name2-tert-butyl-4-(2,4-dichlorophenyl)-1-hydroxyimidazole
PubChem CID70139487
Molecular FormulaC13H14Cl2N2O
Molecular Weight285.17 g/mol
Exact Mass284.05
IUPAC Name2-tert-butyl-4-(2,4-dichlorophenyl)-1-hydroxyimidazole
SMILESCC(C)(C)c1nc(-c2ccc(Cl)cc2Cl)cn1O
InChIInChI=1S/C13H14Cl2N2O/c1-13(2,3)12-16-11(7-17(12)18)9-5-4-8(14)6-10(9)15/h4-7,18H,1-3H3
InChIKeyYDSZFCPLCKBYIS-UHFFFAOYSA-N
XLogP4.39
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-5-(2,4-dichlorophenyl)-3-propan-2-ylimidazol-4-amine
CID 63467471
2,4,6-tris(2,4-dichlorophenyl)pyridine
CID 86059634
2-(2,4-dichlorophenyl)-8-methylimidazo[1,2-a]pyridin-6-amine
CID 82059059
2-tert-butyl-4-(3-chloro-4-fluorophenyl)-1-methylimidazole
CID 164927319
6-(2,4-dichlorophenyl)imidazo[2,1-b][1,3]oxazole
CID 91482116
2,6-bis(2,4-dichlorophenyl)pyridin-4-amine
CID 133087176
8-bromo-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine
CID 113303446
6-(2,4-dichlorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole
CID 14145100
4-[[2-[(E)-2-[4-(4-tert-butylphenyl)phenyl]ethenyl]-4-(2,4-dichlorophenyl)imidazol-1-yl]methyl]benzoic acid
CID 58231191
4-(2,4-dichlorophenyl)-1,3-oxazole
CID 76539815
2-chloro-4-(2,4-dichlorophenyl)pyrimidine
CID 11086481
4-tert-butyl-6-chloro-2-(2,4-dichlorophenyl)-5-iodopyrimidine
CID 66314197

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(2,4-dichlorophenyl)-1-hydroxyimidazole?
The IUPAC name of 2-tert-butyl-4-(2,4-dichlorophenyl)-1-hydroxyimidazole (CID 70139487) is 2-tert-butyl-4-(2,4-dichlorophenyl)-1-hydroxyimidazole.
What is the SMILES notation for 2-tert-butyl-4-(2,4-dichlorophenyl)-1-hydroxyimidazole?
The canonical SMILES for 2-tert-butyl-4-(2,4-dichlorophenyl)-1-hydroxyimidazole is CC(C)(C)c1nc(-c2ccc(Cl)cc2Cl)cn1O.
What is the InChIKey of 2-tert-butyl-4-(2,4-dichlorophenyl)-1-hydroxyimidazole?
The InChIKey is YDSZFCPLCKBYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O/c1-13(2,3)12-16-11(7-17(12)18)9-5-4-8(14)6-10(9)15/h4-7,18H,1-3H3.
What are the key properties of 2-tert-butyl-4-(2,4-dichlorophenyl)-1-hydroxyimidazole?
2-tert-butyl-4-(2,4-dichlorophenyl)-1-hydroxyimidazole has a molecular weight of 285.17 g/mol, XLogP of 4.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(2,4-dichlorophenyl)-1-hydroxyimidazole is sourced from PubChem (CID 70139487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).