2-(4-bromophenyl)-1-(3-ethylimidazol-4-yl)ethanol

C13H15BrN2O — CID 66134532

IUPAC2-(4-bromophenyl)-1-(3-ethylimidazol-4-yl)ethanol
SMILESCCn1cncc1C(O)Cc1ccc(Br)cc1
InChIInChI=1S/C13H15BrN2O/c1-2-16-9-15-8-12(16)13(17)7-10-3-5-11(14)6-4-10/h3-6,8-9,13,17H,2,7H2,1H3
InChIKeyODWALTVMDACCMT-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.94
Rot. Bonds4

About 2-(4-bromophenyl)-1-(3-ethylimidazol-4-yl)ethanol

2-(4-bromophenyl)-1-(3-ethylimidazol-4-yl)ethanol (PubChem CID 66134532) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(3-ethylimidazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(3-ethylimidazol-4-yl)ethanol
PubChem CID66134532
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name2-(4-bromophenyl)-1-(3-ethylimidazol-4-yl)ethanol
SMILESCCn1cncc1C(O)Cc1ccc(Br)cc1
InChIInChI=1S/C13H15BrN2O/c1-2-16-9-15-8-12(16)13(17)7-10-3-5-11(14)6-4-10/h3-6,8-9,13,17H,2,7H2,1H3
InChIKeyODWALTVMDACCMT-UHFFFAOYSA-N
XLogP2.94
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethylimidazol-4-yl)-2-(4-ethylphenyl)ethanol
CID 66134129
1-[3-[(4-bromophenyl)methyl]imidazol-4-yl]propan-1-ol
CID 22466867
2-(3,4-difluorophenyl)-1-(3-ethylimidazol-4-yl)ethanol
CID 82919889
1-(3-ethylimidazol-4-yl)-2-pyridin-3-ylethanol
CID 104735761
1-(3-ethylimidazol-4-yl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 66134538
1-(3-ethylimidazol-4-yl)-2-(3-methylphenyl)ethanol
CID 66132887
2-(4-chloro-3-fluorophenyl)-1-(3-ethylimidazol-4-yl)ethanol
CID 114012562
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylimidazol-4-yl)ethanol
CID 66133514
2-(5-bromo-2-pyridinyl)-1-(3-propylimidazol-4-yl)ethanol
CID 104802227
2-(4-bromophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol
CID 105077466
1-(3-ethylimidazol-4-yl)-2-methoxyethanol
CID 79566598
2-(2,4-dichlorophenyl)-1-(3-ethylimidazol-4-yl)ethanol
CID 66134128

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(3-ethylimidazol-4-yl)ethanol?
The IUPAC name of 2-(4-bromophenyl)-1-(3-ethylimidazol-4-yl)ethanol (CID 66134532) is 2-(4-bromophenyl)-1-(3-ethylimidazol-4-yl)ethanol.
What is the SMILES notation for 2-(4-bromophenyl)-1-(3-ethylimidazol-4-yl)ethanol?
The canonical SMILES for 2-(4-bromophenyl)-1-(3-ethylimidazol-4-yl)ethanol is CCn1cncc1C(O)Cc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1-(3-ethylimidazol-4-yl)ethanol?
The InChIKey is ODWALTVMDACCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-2-16-9-15-8-12(16)13(17)7-10-3-5-11(14)6-4-10/h3-6,8-9,13,17H,2,7H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-(3-ethylimidazol-4-yl)ethanol?
2-(4-bromophenyl)-1-(3-ethylimidazol-4-yl)ethanol has a molecular weight of 295.18 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(3-ethylimidazol-4-yl)ethanol is sourced from PubChem (CID 66134532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).