2-(2-bromoanilino)-2-(3-ethylimidazol-4-yl)ethanol

C13H16BrN3O — CID 66134961

IUPAC2-(2-bromoanilino)-2-(3-ethylimidazol-4-yl)ethanol
SMILESCCn1cncc1C(CO)Nc1ccccc1Br
InChIInChI=1S/C13H16BrN3O/c1-2-17-9-15-7-13(17)12(8-18)16-11-6-4-3-5-10(11)14/h3-7,9,12,16,18H,2,8H2,1H3
InChIKeyADARVFPMKHSRPI-UHFFFAOYSA-N
MW310.19 g/mol
LogP2.81
Rot. Bonds5

About 2-(2-bromoanilino)-2-(3-ethylimidazol-4-yl)ethanol

2-(2-bromoanilino)-2-(3-ethylimidazol-4-yl)ethanol (PubChem CID 66134961) has the molecular formula C13H16BrN3O and a molecular weight of 310.19 g/mol. Its IUPAC name is 2-(2-bromoanilino)-2-(3-ethylimidazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-bromoanilino)-2-(3-ethylimidazol-4-yl)ethanol
PubChem CID66134961
Molecular FormulaC13H16BrN3O
Molecular Weight310.19 g/mol
Exact Mass309.05
IUPAC Name2-(2-bromoanilino)-2-(3-ethylimidazol-4-yl)ethanol
SMILESCCn1cncc1C(CO)Nc1ccccc1Br
InChIInChI=1S/C13H16BrN3O/c1-2-17-9-15-7-13(17)12(8-18)16-11-6-4-3-5-10(11)14/h3-7,9,12,16,18H,2,8H2,1H3
InChIKeyADARVFPMKHSRPI-UHFFFAOYSA-N
XLogP2.81
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromoanilino)-2-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66164837
2-(benzylamino)-2-(3-ethylimidazol-4-yl)ethanol
CID 66133933
2-(2-methoxyanilino)-2-(3-propylimidazol-4-yl)ethanol
CID 66132442
(2S)-2-(2-bromoanilino)-2-phenylethanol
CID 135041919
2-(2-bromoanilino)-2-(3-propylimidazol-4-yl)acetamide
CID 66130419
2-(2-bromoanilino)-2-(1-methylpyrazol-4-yl)ethanol
CID 61048451
2-(cyclohexylamino)-2-(3-ethylimidazol-4-yl)ethanol
CID 66134135
2-(2-bromoanilino)-2-(3-methylimidazol-4-yl)acetonitrile
CID 66118163
2-(3-bromoanilino)-2-(3-ethylimidazol-4-yl)acetic acid
CID 66135751
2-(2-bromoanilino)-2-(2,4,6-trimethylphenyl)ethanol
CID 61048449
2-(2-bromoanilino)-2-(3-propan-2-ylimidazol-4-yl)acetamide
CID 66162816
2-(2-bromoanilino)-2-(4-propoxyphenyl)ethanol
CID 62497133

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-2-(3-ethylimidazol-4-yl)ethanol?
The IUPAC name of 2-(2-bromoanilino)-2-(3-ethylimidazol-4-yl)ethanol (CID 66134961) is 2-(2-bromoanilino)-2-(3-ethylimidazol-4-yl)ethanol.
What is the SMILES notation for 2-(2-bromoanilino)-2-(3-ethylimidazol-4-yl)ethanol?
The canonical SMILES for 2-(2-bromoanilino)-2-(3-ethylimidazol-4-yl)ethanol is CCn1cncc1C(CO)Nc1ccccc1Br.
What is the InChIKey of 2-(2-bromoanilino)-2-(3-ethylimidazol-4-yl)ethanol?
The InChIKey is ADARVFPMKHSRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O/c1-2-17-9-15-7-13(17)12(8-18)16-11-6-4-3-5-10(11)14/h3-7,9,12,16,18H,2,8H2,1H3.
What are the key properties of 2-(2-bromoanilino)-2-(3-ethylimidazol-4-yl)ethanol?
2-(2-bromoanilino)-2-(3-ethylimidazol-4-yl)ethanol has a molecular weight of 310.19 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoanilino)-2-(3-ethylimidazol-4-yl)ethanol is sourced from PubChem (CID 66134961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).