2-amino-2-[3-(4-bromo-3-methylphenyl)imidazol-4-yl]ethanol

C12H14BrN3O — CID 114703009

IUPAC2-amino-2-[3-(4-bromo-3-methylphenyl)imidazol-4-yl]ethanol
SMILESCc1cc(-n2cncc2C(N)CO)ccc1Br
InChIInChI=1S/C12H14BrN3O/c1-8-4-9(2-3-10(8)13)16-7-15-5-12(16)11(14)6-17/h2-5,7,11,17H,6,14H2,1H3
InChIKeySCPSPVRHZRKSOW-UHFFFAOYSA-N
MW296.17 g/mol
LogP1.94
Rot. Bonds3

About 2-amino-2-[3-(4-bromo-3-methylphenyl)imidazol-4-yl]ethanol

2-amino-2-[3-(4-bromo-3-methylphenyl)imidazol-4-yl]ethanol (PubChem CID 114703009) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is 2-amino-2-[3-(4-bromo-3-methylphenyl)imidazol-4-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[3-(4-bromo-3-methylphenyl)imidazol-4-yl]ethanol
PubChem CID114703009
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name2-amino-2-[3-(4-bromo-3-methylphenyl)imidazol-4-yl]ethanol
SMILESCc1cc(-n2cncc2C(N)CO)ccc1Br
InChIInChI=1S/C12H14BrN3O/c1-8-4-9(2-3-10(8)13)16-7-15-5-12(16)11(14)6-17/h2-5,7,11,17H,6,14H2,1H3
InChIKeySCPSPVRHZRKSOW-UHFFFAOYSA-N
XLogP1.94
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3-bromo-4-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114706014
(1R)-1-[3-(4-ethyl-3-methylphenyl)imidazol-4-yl]propan-1-amine
CID 114250822
2-amino-2-(3-pyridin-3-ylimidazol-4-yl)ethanol
CID 114703705
2-amino-2-[3-(4-methyl-3-pyridinyl)imidazol-4-yl]ethanol
CID 114705991
2-amino-2-[3-(4-chloro-2-methylphenyl)imidazol-4-yl]ethanol
CID 114703854
2-amino-2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)imidazol-4-yl]ethanol
CID 114702863
1-[3-(4-fluoro-3-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114705691
1-[3-(3,4-dimethylphenyl)imidazol-4-yl]ethanamine
CID 114703383
(1R)-1-[3-(3-chloro-4-methylphenyl)imidazol-4-yl]propan-1-amine
CID 104941641
1-[3-(4-bromo-3-fluorophenyl)imidazol-4-yl]ethanamine
CID 114706316
2-amino-2-[3-(2,6-dimethyl-3-pyridinyl)imidazol-4-yl]ethanol
CID 114706651
1-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114706294

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-(4-bromo-3-methylphenyl)imidazol-4-yl]ethanol?
The IUPAC name of 2-amino-2-[3-(4-bromo-3-methylphenyl)imidazol-4-yl]ethanol (CID 114703009) is 2-amino-2-[3-(4-bromo-3-methylphenyl)imidazol-4-yl]ethanol.
What is the SMILES notation for 2-amino-2-[3-(4-bromo-3-methylphenyl)imidazol-4-yl]ethanol?
The canonical SMILES for 2-amino-2-[3-(4-bromo-3-methylphenyl)imidazol-4-yl]ethanol is Cc1cc(-n2cncc2C(N)CO)ccc1Br.
What is the InChIKey of 2-amino-2-[3-(4-bromo-3-methylphenyl)imidazol-4-yl]ethanol?
The InChIKey is SCPSPVRHZRKSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-8-4-9(2-3-10(8)13)16-7-15-5-12(16)11(14)6-17/h2-5,7,11,17H,6,14H2,1H3.
What are the key properties of 2-amino-2-[3-(4-bromo-3-methylphenyl)imidazol-4-yl]ethanol?
2-amino-2-[3-(4-bromo-3-methylphenyl)imidazol-4-yl]ethanol has a molecular weight of 296.17 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-(4-bromo-3-methylphenyl)imidazol-4-yl]ethanol is sourced from PubChem (CID 114703009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).