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

C12H15N3O — CID 83887548

IUPAC2-amino-1-[3-(2-methylphenyl)imidazol-4-yl]ethanol
SMILESCc1ccccc1-n1cncc1C(O)CN
InChIInChI=1S/C12H15N3O/c1-9-4-2-3-5-10(9)15-8-14-7-11(15)12(16)6-13/h2-5,7-8,12,16H,6,13H2,1H3
InChIKeyWRQBWBYQPDTCAR-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.17
Rot. Bonds3

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

2-amino-1-[3-(2-methylphenyl)imidazol-4-yl]ethanol (PubChem CID 83887548) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-amino-1-[3-(2-methylphenyl)imidazol-4-yl]ethanol.

Molecular Properties

Compound Name2-amino-1-[3-(2-methylphenyl)imidazol-4-yl]ethanol
PubChem CID83887548
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-amino-1-[3-(2-methylphenyl)imidazol-4-yl]ethanol
SMILESCc1ccccc1-n1cncc1C(O)CN
InChIInChI=1S/C12H15N3O/c1-9-4-2-3-5-10(9)15-8-14-7-11(15)12(16)6-13/h2-5,7-8,12,16H,6,13H2,1H3
InChIKeyWRQBWBYQPDTCAR-UHFFFAOYSA-N
XLogP1.17
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-bromo-3-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114706929
3-(2-methylphenyl)imidazole-4-carbonitrile
CID 84659049
2-amino-2-[3-(4-methyl-3-pyridinyl)imidazol-4-yl]ethanol
CID 114705991
[3-(2,5-dimethylphenyl)imidazol-4-yl]-phenylmethanamine
CID 114703207
1-(3-naphthalen-1-ylimidazol-4-yl)ethanamine
CID 114702749
2-[3-[2-(difluoromethylsulfanyl)phenyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107443932
4-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-3-methylphenol
CID 104943282
2-amino-1-phenylethanol;ethane
CID 91425169
2-amino-2-[3-(4-chloro-2-methylphenyl)imidazol-4-yl]ethanol
CID 114703854
(1S)-1-[3-(2-methylsulfanylphenyl)imidazol-4-yl]ethanamine
CID 107649069
3-methyl-1-[3-(4-methyl-3-pyridinyl)imidazol-4-yl]butan-1-amine
CID 114705989
1-[3-(2-fluorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114703449

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(2-methylphenyl)imidazol-4-yl]ethanol?
The IUPAC name of 2-amino-1-[3-(2-methylphenyl)imidazol-4-yl]ethanol (CID 83887548) is 2-amino-1-[3-(2-methylphenyl)imidazol-4-yl]ethanol.
What is the SMILES notation for 2-amino-1-[3-(2-methylphenyl)imidazol-4-yl]ethanol?
The canonical SMILES for 2-amino-1-[3-(2-methylphenyl)imidazol-4-yl]ethanol is Cc1ccccc1-n1cncc1C(O)CN.
What is the InChIKey of 2-amino-1-[3-(2-methylphenyl)imidazol-4-yl]ethanol?
The InChIKey is WRQBWBYQPDTCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-4-2-3-5-10(9)15-8-14-7-11(15)12(16)6-13/h2-5,7-8,12,16H,6,13H2,1H3.
What are the key properties of 2-amino-1-[3-(2-methylphenyl)imidazol-4-yl]ethanol?
2-amino-1-[3-(2-methylphenyl)imidazol-4-yl]ethanol has a molecular weight of 217.27 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(2-methylphenyl)imidazol-4-yl]ethanol is sourced from PubChem (CID 83887548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).