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

C14H18BrN3O — CID 84605911

IUPAC2-[5-bromo-2-[4-(dimethylamino)phenyl]-1-methylimidazol-4-yl]ethanol
SMILESCN(C)c1ccc(-c2nc(CCO)c(Br)n2C)cc1
InChIInChI=1S/C14H18BrN3O/c1-17(2)11-6-4-10(5-7-11)14-16-12(8-9-19)13(15)18(14)3/h4-7,19H,8-9H2,1-3H3
InChIKeyUNEQCMDWLKCFJV-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.45
Rot. Bonds4

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

2-[5-bromo-2-[4-(dimethylamino)phenyl]-1-methylimidazol-4-yl]ethanol (PubChem CID 84605911) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 2-[5-bromo-2-[4-(dimethylamino)phenyl]-1-methylimidazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[5-bromo-2-[4-(dimethylamino)phenyl]-1-methylimidazol-4-yl]ethanol
PubChem CID84605911
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name2-[5-bromo-2-[4-(dimethylamino)phenyl]-1-methylimidazol-4-yl]ethanol
SMILESCN(C)c1ccc(-c2nc(CCO)c(Br)n2C)cc1
InChIInChI=1S/C14H18BrN3O/c1-17(2)11-6-4-10(5-7-11)14-16-12(8-9-19)13(15)18(14)3/h4-7,19H,8-9H2,1-3H3
InChIKeyUNEQCMDWLKCFJV-UHFFFAOYSA-N
XLogP2.45
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Related Compounds

2-[5-bromo-1-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]ethanol
CID 84605588
[1-[4-(dimethylamino)phenyl]-5-(4-methylphenyl)triazol-4-yl]methanol
CID 94939615
4-[5-(2-aminoethyl)-2-methyl-1,2,4-triazol-3-yl]-N,N-dimethylaniline
CID 82479150
N,N-dimethyl-4-[4-methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]aniline
CID 11522389
2-[4-(dimethylamino)phenyl]-1-methylbenzimidazole-4-carbonitrile
CID 104720831
2-[2-[4-(dimethylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]ethanol
CID 70828694
4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane
CID 91522137
4-[2-(1,5-dimethyl-2-phenylimidazol-4-yl)ethyl]-1,5-dimethyl-2-phenylimidazole
CID 123608217
4-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]-N,N-dimethylaniline
CID 3228104
5-[4-(dimethylamino)phenyl]-N-(4-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 143268175
4-(3-bromo-1,2,4-thiadiazol-5-yl)-N,N-dimethylaniline
CID 102943222
(2R)-1-[2-[4-(dimethylamino)phenyl]imidazol-1-yl]propan-2-ol
CID 155918021

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-[4-(dimethylamino)phenyl]-1-methylimidazol-4-yl]ethanol?
The IUPAC name of 2-[5-bromo-2-[4-(dimethylamino)phenyl]-1-methylimidazol-4-yl]ethanol (CID 84605911) is 2-[5-bromo-2-[4-(dimethylamino)phenyl]-1-methylimidazol-4-yl]ethanol.
What is the SMILES notation for 2-[5-bromo-2-[4-(dimethylamino)phenyl]-1-methylimidazol-4-yl]ethanol?
The canonical SMILES for 2-[5-bromo-2-[4-(dimethylamino)phenyl]-1-methylimidazol-4-yl]ethanol is CN(C)c1ccc(-c2nc(CCO)c(Br)n2C)cc1.
What is the InChIKey of 2-[5-bromo-2-[4-(dimethylamino)phenyl]-1-methylimidazol-4-yl]ethanol?
The InChIKey is UNEQCMDWLKCFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-17(2)11-6-4-10(5-7-11)14-16-12(8-9-19)13(15)18(14)3/h4-7,19H,8-9H2,1-3H3.
What are the key properties of 2-[5-bromo-2-[4-(dimethylamino)phenyl]-1-methylimidazol-4-yl]ethanol?
2-[5-bromo-2-[4-(dimethylamino)phenyl]-1-methylimidazol-4-yl]ethanol has a molecular weight of 324.22 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-2-[4-(dimethylamino)phenyl]-1-methylimidazol-4-yl]ethanol is sourced from PubChem (CID 84605911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).