1-(4-bromophenyl)-2-imidazol-1-ylethanol

C11H11BrN2O — CID 12760612

IUPAC1-(4-bromophenyl)-2-imidazol-1-ylethanol
SMILESOC(Cn1ccnc1)c1ccc(Br)cc1
InChIInChI=1S/C11H11BrN2O/c12-10-3-1-9(2-4-10)11(15)7-14-6-5-13-8-14/h1-6,8,11,15H,7H2
InChIKeyFAYROWPRGZRDEC-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.38
Rot. Bonds3

About 1-(4-bromophenyl)-2-imidazol-1-ylethanol

1-(4-bromophenyl)-2-imidazol-1-ylethanol (PubChem CID 12760612) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-imidazol-1-ylethanol.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-imidazol-1-ylethanol
PubChem CID12760612
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name1-(4-bromophenyl)-2-imidazol-1-ylethanol
SMILESOC(Cn1ccnc1)c1ccc(Br)cc1
InChIInChI=1S/C11H11BrN2O/c12-10-3-1-9(2-4-10)11(15)7-14-6-5-13-8-14/h1-6,8,11,15H,7H2
InChIKeyFAYROWPRGZRDEC-UHFFFAOYSA-N
XLogP2.38
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-imidazol-1-ylethanol?
The IUPAC name of 1-(4-bromophenyl)-2-imidazol-1-ylethanol (CID 12760612) is 1-(4-bromophenyl)-2-imidazol-1-ylethanol.
What is the SMILES notation for 1-(4-bromophenyl)-2-imidazol-1-ylethanol?
The canonical SMILES for 1-(4-bromophenyl)-2-imidazol-1-ylethanol is OC(Cn1ccnc1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-imidazol-1-ylethanol?
The InChIKey is FAYROWPRGZRDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c12-10-3-1-9(2-4-10)11(15)7-14-6-5-13-8-14/h1-6,8,11,15H,7H2.
What are the key properties of 1-(4-bromophenyl)-2-imidazol-1-ylethanol?
1-(4-bromophenyl)-2-imidazol-1-ylethanol has a molecular weight of 267.13 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-imidazol-1-ylethanol is sourced from PubChem (CID 12760612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).