2-(2-bromoanilino)-2-(3-propan-2-ylimidazol-4-yl)ethanol

C14H18BrN3O — CID 66164837

IUPAC2-(2-bromoanilino)-2-(3-propan-2-ylimidazol-4-yl)ethanol
SMILESCC(C)n1cncc1C(CO)Nc1ccccc1Br
InChIInChI=1S/C14H18BrN3O/c1-10(2)18-9-16-7-14(18)13(8-19)17-12-6-4-3-5-11(12)15/h3-7,9-10,13,17,19H,8H2,1-2H3
InChIKeyXZSLSXNTEVZQFR-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.37
Rot. Bonds5

About 2-(2-bromoanilino)-2-(3-propan-2-ylimidazol-4-yl)ethanol

2-(2-bromoanilino)-2-(3-propan-2-ylimidazol-4-yl)ethanol (PubChem CID 66164837) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 2-(2-bromoanilino)-2-(3-propan-2-ylimidazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-bromoanilino)-2-(3-propan-2-ylimidazol-4-yl)ethanol
PubChem CID66164837
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name2-(2-bromoanilino)-2-(3-propan-2-ylimidazol-4-yl)ethanol
SMILESCC(C)n1cncc1C(CO)Nc1ccccc1Br
InChIInChI=1S/C14H18BrN3O/c1-10(2)18-9-16-7-14(18)13(8-19)17-12-6-4-3-5-11(12)15/h3-7,9-10,13,17,19H,8H2,1-2H3
InChIKeyXZSLSXNTEVZQFR-UHFFFAOYSA-N
XLogP3.37
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-bromoanilino)-2-(3-propan-2-ylimidazol-4-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-2-(3-propan-2-ylimidazol-4-yl)ethanol?
The IUPAC name of 2-(2-bromoanilino)-2-(3-propan-2-ylimidazol-4-yl)ethanol (CID 66164837) is 2-(2-bromoanilino)-2-(3-propan-2-ylimidazol-4-yl)ethanol.
What is the SMILES notation for 2-(2-bromoanilino)-2-(3-propan-2-ylimidazol-4-yl)ethanol?
The canonical SMILES for 2-(2-bromoanilino)-2-(3-propan-2-ylimidazol-4-yl)ethanol is CC(C)n1cncc1C(CO)Nc1ccccc1Br.
What is the InChIKey of 2-(2-bromoanilino)-2-(3-propan-2-ylimidazol-4-yl)ethanol?
The InChIKey is XZSLSXNTEVZQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-10(2)18-9-16-7-14(18)13(8-19)17-12-6-4-3-5-11(12)15/h3-7,9-10,13,17,19H,8H2,1-2H3.
What are the key properties of 2-(2-bromoanilino)-2-(3-propan-2-ylimidazol-4-yl)ethanol?
2-(2-bromoanilino)-2-(3-propan-2-ylimidazol-4-yl)ethanol has a molecular weight of 324.22 g/mol, XLogP of 3.37, 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-propan-2-ylimidazol-4-yl)ethanol is sourced from PubChem (CID 66164837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).