2-amino-2-[3-[1-(4-bromophenyl)ethyl]imidazol-4-yl]ethanol

C13H16BrN3O — CID 114705010

IUPAC2-amino-2-[3-[1-(4-bromophenyl)ethyl]imidazol-4-yl]ethanol
SMILESCC(c1ccc(Br)cc1)n1cncc1C(N)CO
InChIInChI=1S/C13H16BrN3O/c1-9(10-2-4-11(14)5-3-10)17-8-16-6-13(17)12(15)7-18/h2-6,8-9,12,18H,7,15H2,1H3
InChIKeyJYSACHBVPKSESU-UHFFFAOYSA-N
MW310.19 g/mol
LogP2.25
Rot. Bonds4

About 2-amino-2-[3-[1-(4-bromophenyl)ethyl]imidazol-4-yl]ethanol

2-amino-2-[3-[1-(4-bromophenyl)ethyl]imidazol-4-yl]ethanol (PubChem CID 114705010) has the molecular formula C13H16BrN3O and a molecular weight of 310.19 g/mol. Its IUPAC name is 2-amino-2-[3-[1-(4-bromophenyl)ethyl]imidazol-4-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[3-[1-(4-bromophenyl)ethyl]imidazol-4-yl]ethanol
PubChem CID114705010
Molecular FormulaC13H16BrN3O
Molecular Weight310.19 g/mol
Exact Mass309.05
IUPAC Name2-amino-2-[3-[1-(4-bromophenyl)ethyl]imidazol-4-yl]ethanol
SMILESCC(c1ccc(Br)cc1)n1cncc1C(N)CO
InChIInChI=1S/C13H16BrN3O/c1-9(10-2-4-11(14)5-3-10)17-8-16-6-13(17)12(15)7-18/h2-6,8-9,12,18H,7,15H2,1H3
InChIKeyJYSACHBVPKSESU-UHFFFAOYSA-N
XLogP2.25
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-[1-(4-bromophenyl)ethyl]imidazol-4-yl]ethanol?
The IUPAC name of 2-amino-2-[3-[1-(4-bromophenyl)ethyl]imidazol-4-yl]ethanol (CID 114705010) is 2-amino-2-[3-[1-(4-bromophenyl)ethyl]imidazol-4-yl]ethanol.
What is the SMILES notation for 2-amino-2-[3-[1-(4-bromophenyl)ethyl]imidazol-4-yl]ethanol?
The canonical SMILES for 2-amino-2-[3-[1-(4-bromophenyl)ethyl]imidazol-4-yl]ethanol is CC(c1ccc(Br)cc1)n1cncc1C(N)CO.
What is the InChIKey of 2-amino-2-[3-[1-(4-bromophenyl)ethyl]imidazol-4-yl]ethanol?
The InChIKey is JYSACHBVPKSESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O/c1-9(10-2-4-11(14)5-3-10)17-8-16-6-13(17)12(15)7-18/h2-6,8-9,12,18H,7,15H2,1H3.
What are the key properties of 2-amino-2-[3-[1-(4-bromophenyl)ethyl]imidazol-4-yl]ethanol?
2-amino-2-[3-[1-(4-bromophenyl)ethyl]imidazol-4-yl]ethanol has a molecular weight of 310.19 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-[1-(4-bromophenyl)ethyl]imidazol-4-yl]ethanol is sourced from PubChem (CID 114705010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).