2-[5-bromo-4-(3,4-dichlorophenyl)-1H-imidazol-2-yl]ethanol

C11H9BrCl2N2O — CID 84610434

IUPAC2-[5-bromo-4-(3,4-dichlorophenyl)-1H-imidazol-2-yl]ethanol
SMILESOCCc1nc(-c2ccc(Cl)c(Cl)c2)c(Br)[nH]1
InChIInChI=1S/C11H9BrCl2N2O/c12-11-10(15-9(16-11)3-4-17)6-1-2-7(13)8(14)5-6/h1-2,5,17H,3-4H2,(H,15,16)
InChIKeyQRCZVGHUUDSSOA-UHFFFAOYSA-N
MW336.02 g/mol
LogP3.68
Rot. Bonds3

About 2-[5-bromo-4-(3,4-dichlorophenyl)-1H-imidazol-2-yl]ethanol

2-[5-bromo-4-(3,4-dichlorophenyl)-1H-imidazol-2-yl]ethanol (PubChem CID 84610434) has the molecular formula C11H9BrCl2N2O and a molecular weight of 336.02 g/mol. Its IUPAC name is 2-[5-bromo-4-(3,4-dichlorophenyl)-1H-imidazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[5-bromo-4-(3,4-dichlorophenyl)-1H-imidazol-2-yl]ethanol
PubChem CID84610434
Molecular FormulaC11H9BrCl2N2O
Molecular Weight336.02 g/mol
Exact Mass333.93
IUPAC Name2-[5-bromo-4-(3,4-dichlorophenyl)-1H-imidazol-2-yl]ethanol
SMILESOCCc1nc(-c2ccc(Cl)c(Cl)c2)c(Br)[nH]1
InChIInChI=1S/C11H9BrCl2N2O/c12-11-10(15-9(16-11)3-4-17)6-1-2-7(13)8(14)5-6/h1-2,5,17H,3-4H2,(H,15,16)
InChIKeyQRCZVGHUUDSSOA-UHFFFAOYSA-N
XLogP3.68
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.02
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-2-yl]ethanol
CID 84609239
5-[5-bromo-2-(2-hydroxyethyl)-1H-imidazol-4-yl]-1,3-dihydroindol-2-one
CID 84604694
2-[5-bromo-4-(2-chloro-4-methoxyphenyl)-1H-imidazol-2-yl]ethanol
CID 84609241
5-[2-(2-aminoethyl)-5-bromo-1H-imidazol-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 84604711
2-[(3-bromo-4-chlorophenyl)methyl]-4-(3,4-dichlorophenyl)-5-methyl-1H-imidazole
CID 68564498
3-[4-(1,3-benzodioxol-5-yl)-5-bromo-1H-imidazol-2-yl]propanoic acid
CID 84611790
2-[5-bromo-4-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]ethanol
CID 84606396
2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]ethanol
CID 20556887
5-bromo-2-(3,4-dichlorophenyl)-1H-imidazole-4-carboxylic acid
CID 84610421
2-[5-bromo-4-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]-N-methylethanamine
CID 84610361
4-(3-chloro-4-methylphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one
CID 136769809
5-(3,4-dichlorophenyl)-2H-triazole-4-carboxylic acid
CID 83656916

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-4-(3,4-dichlorophenyl)-1H-imidazol-2-yl]ethanol?
The IUPAC name of 2-[5-bromo-4-(3,4-dichlorophenyl)-1H-imidazol-2-yl]ethanol (CID 84610434) is 2-[5-bromo-4-(3,4-dichlorophenyl)-1H-imidazol-2-yl]ethanol.
What is the SMILES notation for 2-[5-bromo-4-(3,4-dichlorophenyl)-1H-imidazol-2-yl]ethanol?
The canonical SMILES for 2-[5-bromo-4-(3,4-dichlorophenyl)-1H-imidazol-2-yl]ethanol is OCCc1nc(-c2ccc(Cl)c(Cl)c2)c(Br)[nH]1.
What is the InChIKey of 2-[5-bromo-4-(3,4-dichlorophenyl)-1H-imidazol-2-yl]ethanol?
The InChIKey is QRCZVGHUUDSSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrCl2N2O/c12-11-10(15-9(16-11)3-4-17)6-1-2-7(13)8(14)5-6/h1-2,5,17H,3-4H2,(H,15,16).
What are the key properties of 2-[5-bromo-4-(3,4-dichlorophenyl)-1H-imidazol-2-yl]ethanol?
2-[5-bromo-4-(3,4-dichlorophenyl)-1H-imidazol-2-yl]ethanol has a molecular weight of 336.02 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-4-(3,4-dichlorophenyl)-1H-imidazol-2-yl]ethanol is sourced from PubChem (CID 84610434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).