[2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]methanol

C13H16N2O — CID 63108253

IUPAC[2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]methanol
SMILESCC(C)c1ccc(-c2ncc(CO)[nH]2)cc1
InChIInChI=1S/C13H16N2O/c1-9(2)10-3-5-11(6-4-10)13-14-7-12(8-16)15-13/h3-7,9,16H,8H2,1-2H3,(H,14,15)
InChIKeyNNULWZUYCJPMFW-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.69
Rot. Bonds3

About [2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]methanol

[2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]methanol (PubChem CID 63108253) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is [2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]methanol
PubChem CID63108253
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name[2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]methanol
SMILESCC(C)c1ccc(-c2ncc(CO)[nH]2)cc1
InChIInChI=1S/C13H16N2O/c1-9(2)10-3-5-11(6-4-10)13-14-7-12(8-16)15-13/h3-7,9,16H,8H2,1-2H3,(H,14,15)
InChIKeyNNULWZUYCJPMFW-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]methanol?
The IUPAC name of [2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]methanol (CID 63108253) is [2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]methanol.
What is the SMILES notation for [2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]methanol?
The canonical SMILES for [2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]methanol is CC(C)c1ccc(-c2ncc(CO)[nH]2)cc1.
What is the InChIKey of [2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]methanol?
The InChIKey is NNULWZUYCJPMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9(2)10-3-5-11(6-4-10)13-14-7-12(8-16)15-13/h3-7,9,16H,8H2,1-2H3,(H,14,15).
What are the key properties of [2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]methanol?
[2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]methanol has a molecular weight of 216.28 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]methanol is sourced from PubChem (CID 63108253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).