[3-[1-(1H-imidazol-5-yl)ethyl]-2-methylphenyl]methanol

C13H16N2O — CID 14950643

IUPAC[3-[1-(1H-imidazol-5-yl)ethyl]-2-methylphenyl]methanol
SMILESCc1c(CO)cccc1C(C)c1cnc[nH]1
InChIInChI=1S/C13H16N2O/c1-9-11(7-16)4-3-5-12(9)10(2)13-6-14-8-15-13/h3-6,8,10,16H,7H2,1-2H3,(H,14,15)
InChIKeyHTQCEFAVROSRIW-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.36
Rot. Bonds3

About [3-[1-(1H-imidazol-5-yl)ethyl]-2-methylphenyl]methanol

[3-[1-(1H-imidazol-5-yl)ethyl]-2-methylphenyl]methanol (PubChem CID 14950643) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is [3-[1-(1H-imidazol-5-yl)ethyl]-2-methylphenyl]methanol.

Molecular Properties

Compound Name[3-[1-(1H-imidazol-5-yl)ethyl]-2-methylphenyl]methanol
PubChem CID14950643
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name[3-[1-(1H-imidazol-5-yl)ethyl]-2-methylphenyl]methanol
SMILESCc1c(CO)cccc1C(C)c1cnc[nH]1
InChIInChI=1S/C13H16N2O/c1-9-11(7-16)4-3-5-12(9)10(2)13-6-14-8-15-13/h3-6,8,10,16H,7H2,1-2H3,(H,14,15)
InChIKeyHTQCEFAVROSRIW-UHFFFAOYSA-N
XLogP2.36
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-[(1S)-1-(1H-imidazol-5-yl)ethyl]-2-methylphenyl]propanoic acid
CID 154036671
[3-[(1S)-1-(1H-imidazol-5-yl)ethyl]-2-methylphenyl]methyl 3-methylbutanoate
CID 56942165
5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole;formic acid
CID 155150082
2-amino-2-[[3-[(1S)-1-(1H-imidazol-5-yl)ethyl]-2-methylphenyl]methoxymethyl]-3-methylbutanal
CID 166812065
2-(hydroxymethyl)-6-[1-(1H-imidazol-5-yl)prop-2-enyl]phenol
CID 70276529
[3-[(1S)-1-(1H-imidazol-5-yl)ethyl]-2-methylphenyl]methyl (2S,3R)-2-ethyl-3-(hydroxymethyl)-4-(3-methylimidazol-4-yl)butanoate
CID 170650389
2-[1-(1H-imidazol-5-yl)ethyl]benzonitrile
CID 55254692
5-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1H-imidazole
CID 171381974
1H-imidazol-5-yl(naphthalen-1-yl)methanol
CID 10376336
ethane;5-(1-phenylethyl)-1H-imidazole
CID 123176556
(2-chloro-6-ethylphenyl)-(1H-imidazol-5-yl)methanol
CID 58951912
5-[bis(2-methylphenyl)methyl]-1H-imidazole
CID 13071795

Frequently Asked Questions

What is the IUPAC name of [3-[1-(1H-imidazol-5-yl)ethyl]-2-methylphenyl]methanol?
The IUPAC name of [3-[1-(1H-imidazol-5-yl)ethyl]-2-methylphenyl]methanol (CID 14950643) is [3-[1-(1H-imidazol-5-yl)ethyl]-2-methylphenyl]methanol.
What is the SMILES notation for [3-[1-(1H-imidazol-5-yl)ethyl]-2-methylphenyl]methanol?
The canonical SMILES for [3-[1-(1H-imidazol-5-yl)ethyl]-2-methylphenyl]methanol is Cc1c(CO)cccc1C(C)c1cnc[nH]1.
What is the InChIKey of [3-[1-(1H-imidazol-5-yl)ethyl]-2-methylphenyl]methanol?
The InChIKey is HTQCEFAVROSRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9-11(7-16)4-3-5-12(9)10(2)13-6-14-8-15-13/h3-6,8,10,16H,7H2,1-2H3,(H,14,15).
What are the key properties of [3-[1-(1H-imidazol-5-yl)ethyl]-2-methylphenyl]methanol?
[3-[1-(1H-imidazol-5-yl)ethyl]-2-methylphenyl]methanol has a molecular weight of 216.28 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(1H-imidazol-5-yl)ethyl]-2-methylphenyl]methanol is sourced from PubChem (CID 14950643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).