4-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-3-methylphenol

C12H15N3O — CID 104943282

IUPAC4-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-3-methylphenol
SMILESCc1cc(O)ccc1-n1cncc1[C@H](C)N
InChIInChI=1S/C12H15N3O/c1-8-5-10(16)3-4-11(8)15-7-14-6-12(15)9(2)13/h3-7,9,16H,13H2,1-2H3/t9-/m0/s1
InChIKeyPFGWGKTVDJQZGG-VIFPVBQESA-N
MW217.27 g/mol
LogP1.91
Rot. Bonds2

About 4-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-3-methylphenol

4-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-3-methylphenol (PubChem CID 104943282) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-3-methylphenol.

Molecular Properties

Compound Name4-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-3-methylphenol
PubChem CID104943282
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-3-methylphenol
SMILESCc1cc(O)ccc1-n1cncc1[C@H](C)N
InChIInChI=1S/C12H15N3O/c1-8-5-10(16)3-4-11(8)15-7-14-6-12(15)9(2)13/h3-7,9,16H,13H2,1-2H3/t9-/m0/s1
InChIKeyPFGWGKTVDJQZGG-VIFPVBQESA-N
XLogP1.91
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[3-(4-methoxy-2-methylphenyl)imidazol-4-yl]ethanamine
CID 104942927
(1S)-1-[3-(2-fluoro-4-methylphenyl)imidazol-4-yl]ethanamine
CID 104942142
(1S)-1-[3-(5-bromo-2-methylphenyl)imidazol-4-yl]ethanamine
CID 104942294
(1R)-1-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]ethanamine
CID 104943469
1-[3-(2-bromo-4-fluorophenyl)imidazol-4-yl]ethanamine
CID 114704000
1-[3-(3,4-dimethylphenyl)imidazol-4-yl]ethanamine
CID 114703383
(1R)-1-[3-(2-chloro-4-fluorophenyl)imidazol-4-yl]ethanamine
CID 104941508
(1S)-1-[3-(4-bromo-2-chlorophenyl)imidazol-4-yl]ethanamine
CID 104942107
2-amino-2-[3-(4-chloro-2-methylphenyl)imidazol-4-yl]ethanol
CID 114703854
(1R)-1-[3-(2,5-dichlorophenyl)imidazol-4-yl]ethanamine
CID 104941597
(1R)-1-[3-(2-methyl-3-pyridinyl)imidazol-4-yl]ethanamine
CID 104943346
4-[5-(6-amino-3-pyridinyl)imidazol-1-yl]-3-methylphenol
CID 114720896

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-3-methylphenol?
The IUPAC name of 4-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-3-methylphenol (CID 104943282) is 4-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-3-methylphenol.
What is the SMILES notation for 4-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-3-methylphenol?
The canonical SMILES for 4-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-3-methylphenol is Cc1cc(O)ccc1-n1cncc1[C@H](C)N.
What is the InChIKey of 4-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-3-methylphenol?
The InChIKey is PFGWGKTVDJQZGG-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15N3O/c1-8-5-10(16)3-4-11(8)15-7-14-6-12(15)9(2)13/h3-7,9,16H,13H2,1-2H3/t9-/m0/s1.
What are the key properties of 4-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-3-methylphenol?
4-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-3-methylphenol has a molecular weight of 217.27 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-3-methylphenol is sourced from PubChem (CID 104943282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).