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

C13H15BrN2O — CID 63975016

IUPAC2-(2-bromophenyl)-1-(1-ethylimidazol-2-yl)ethanol
SMILESCCn1ccnc1C(O)Cc1ccccc1Br
InChIInChI=1S/C13H15BrN2O/c1-2-16-8-7-15-13(16)12(17)9-10-5-3-4-6-11(10)14/h3-8,12,17H,2,9H2,1H3
InChIKeySZVADKFAOJXEEF-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.94
Rot. Bonds4

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

2-(2-bromophenyl)-1-(1-ethylimidazol-2-yl)ethanol (PubChem CID 63975016) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(1-ethylimidazol-2-yl)ethanol.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(1-ethylimidazol-2-yl)ethanol
PubChem CID63975016
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name2-(2-bromophenyl)-1-(1-ethylimidazol-2-yl)ethanol
SMILESCCn1ccnc1C(O)Cc1ccccc1Br
InChIInChI=1S/C13H15BrN2O/c1-2-16-8-7-15-13(16)12(17)9-10-5-3-4-6-11(10)14/h3-8,12,17H,2,9H2,1H3
InChIKeySZVADKFAOJXEEF-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-(1-ethylimidazol-2-yl)-2-phenylethanol
CID 63976496
1-(1-ethylimidazol-2-yl)-2-pyridin-2-ylethanol
CID 63977321
2-(2,4-dichlorophenyl)-1-(1-ethylimidazol-2-yl)ethanol
CID 63977323
2-(2-bromophenyl)-1-pyrimidin-2-ylethanol
CID 60798582
N-[2-(2-bromophenyl)-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 63968561
2-(2-bromophenyl)-1-(4-methyl-2-pyridinyl)ethanol
CID 63839071
2-(2-chloro-6-fluorophenyl)-1-(1-ethylimidazol-2-yl)ethanol
CID 63975018
1-(1-propylimidazol-2-yl)-2-pyridin-2-ylethanol
CID 63977142
2-(2-bromophenyl)-1-thiophen-2-ylethanol
CID 60798008
3-ethoxy-1-(1-ethylimidazol-2-yl)propan-1-ol
CID 105099040
(5-bromo-2-pyridinyl)-(1-ethylimidazol-2-yl)methanol
CID 62960127
2-(2-bromophenyl)-1-(6-methyl-2-pyridinyl)ethanol
CID 55221134

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(1-ethylimidazol-2-yl)ethanol?
The IUPAC name of 2-(2-bromophenyl)-1-(1-ethylimidazol-2-yl)ethanol (CID 63975016) is 2-(2-bromophenyl)-1-(1-ethylimidazol-2-yl)ethanol.
What is the SMILES notation for 2-(2-bromophenyl)-1-(1-ethylimidazol-2-yl)ethanol?
The canonical SMILES for 2-(2-bromophenyl)-1-(1-ethylimidazol-2-yl)ethanol is CCn1ccnc1C(O)Cc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-1-(1-ethylimidazol-2-yl)ethanol?
The InChIKey is SZVADKFAOJXEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-2-16-8-7-15-13(16)12(17)9-10-5-3-4-6-11(10)14/h3-8,12,17H,2,9H2,1H3.
What are the key properties of 2-(2-bromophenyl)-1-(1-ethylimidazol-2-yl)ethanol?
2-(2-bromophenyl)-1-(1-ethylimidazol-2-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-(2-bromophenyl)-1-(1-ethylimidazol-2-yl)ethanol is sourced from PubChem (CID 63975016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).