2-[4-bromo-5-(5-chloro-2-fluorophenyl)-1-methylimidazol-2-yl]ethanol

C12H11BrClFN2O — CID 84609648

IUPAC2-[4-bromo-5-(5-chloro-2-fluorophenyl)-1-methylimidazol-2-yl]ethanol
SMILESCn1c(CCO)nc(Br)c1-c1cc(Cl)ccc1F
InChIInChI=1S/C12H11BrClFN2O/c1-17-10(4-5-18)16-12(13)11(17)8-6-7(14)2-3-9(8)15/h2-3,6,18H,4-5H2,1H3
InChIKeyRTPXVTALSGHRAF-UHFFFAOYSA-N
MW333.59 g/mol
LogP3.18
Rot. Bonds3

About 2-[4-bromo-5-(5-chloro-2-fluorophenyl)-1-methylimidazol-2-yl]ethanol

2-[4-bromo-5-(5-chloro-2-fluorophenyl)-1-methylimidazol-2-yl]ethanol (PubChem CID 84609648) has the molecular formula C12H11BrClFN2O and a molecular weight of 333.59 g/mol. Its IUPAC name is 2-[4-bromo-5-(5-chloro-2-fluorophenyl)-1-methylimidazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-bromo-5-(5-chloro-2-fluorophenyl)-1-methylimidazol-2-yl]ethanol
PubChem CID84609648
Molecular FormulaC12H11BrClFN2O
Molecular Weight333.59 g/mol
Exact Mass331.97
IUPAC Name2-[4-bromo-5-(5-chloro-2-fluorophenyl)-1-methylimidazol-2-yl]ethanol
SMILESCn1c(CCO)nc(Br)c1-c1cc(Cl)ccc1F
InChIInChI=1S/C12H11BrClFN2O/c1-17-10(4-5-18)16-12(13)11(17)8-6-7(14)2-3-9(8)15/h2-3,6,18H,4-5H2,1H3
InChIKeyRTPXVTALSGHRAF-UHFFFAOYSA-N
XLogP3.18
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.59
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-(5-chloro-2-fluorophenyl)-1-methylimidazol-2-yl]ethanol?
The IUPAC name of 2-[4-bromo-5-(5-chloro-2-fluorophenyl)-1-methylimidazol-2-yl]ethanol (CID 84609648) is 2-[4-bromo-5-(5-chloro-2-fluorophenyl)-1-methylimidazol-2-yl]ethanol.
What is the SMILES notation for 2-[4-bromo-5-(5-chloro-2-fluorophenyl)-1-methylimidazol-2-yl]ethanol?
The canonical SMILES for 2-[4-bromo-5-(5-chloro-2-fluorophenyl)-1-methylimidazol-2-yl]ethanol is Cn1c(CCO)nc(Br)c1-c1cc(Cl)ccc1F.
What is the InChIKey of 2-[4-bromo-5-(5-chloro-2-fluorophenyl)-1-methylimidazol-2-yl]ethanol?
The InChIKey is RTPXVTALSGHRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClFN2O/c1-17-10(4-5-18)16-12(13)11(17)8-6-7(14)2-3-9(8)15/h2-3,6,18H,4-5H2,1H3.
What are the key properties of 2-[4-bromo-5-(5-chloro-2-fluorophenyl)-1-methylimidazol-2-yl]ethanol?
2-[4-bromo-5-(5-chloro-2-fluorophenyl)-1-methylimidazol-2-yl]ethanol has a molecular weight of 333.59 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-5-(5-chloro-2-fluorophenyl)-1-methylimidazol-2-yl]ethanol is sourced from PubChem (CID 84609648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).