(1S)-1-[5-[(R)-hydroxy(phenyl)methyl]-1H-imidazol-2-yl]-2-phenylethanol

C18H18N2O2 — CID 11243363

IUPAC(1S)-1-[5-[(R)-hydroxy(phenyl)methyl]-1H-imidazol-2-yl]-2-phenylethanol
SMILESO[C@H](c1ccccc1)c1cnc([C@@H](O)Cc2ccccc2)[nH]1
InChIInChI=1S/C18H18N2O2/c21-16(11-13-7-3-1-4-8-13)18-19-12-15(20-18)17(22)14-9-5-2-6-10-14/h1-10,12,16-17,21-22H,11H2,(H,19,20)/t16-,17+/m0/s1
InChIKeyPOOTZRVZNGVQFN-DLBZAZTESA-N
MW294.35 g/mol
LogP2.77
Rot. Bonds5

About (1S)-1-[5-[(R)-hydroxy(phenyl)methyl]-1H-imidazol-2-yl]-2-phenylethanol

(1S)-1-[5-[(R)-hydroxy(phenyl)methyl]-1H-imidazol-2-yl]-2-phenylethanol (PubChem CID 11243363) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is (1S)-1-[5-[(R)-hydroxy(phenyl)methyl]-1H-imidazol-2-yl]-2-phenylethanol.

Molecular Properties

Compound Name(1S)-1-[5-[(R)-hydroxy(phenyl)methyl]-1H-imidazol-2-yl]-2-phenylethanol
PubChem CID11243363
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name(1S)-1-[5-[(R)-hydroxy(phenyl)methyl]-1H-imidazol-2-yl]-2-phenylethanol
SMILESO[C@H](c1ccccc1)c1cnc([C@@H](O)Cc2ccccc2)[nH]1
InChIInChI=1S/C18H18N2O2/c21-16(11-13-7-3-1-4-8-13)18-19-12-15(20-18)17(22)14-9-5-2-6-10-14/h1-10,12,16-17,21-22H,11H2,(H,19,20)/t16-,17+/m0/s1
InChIKeyPOOTZRVZNGVQFN-DLBZAZTESA-N
XLogP2.77
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-[(R)-hydroxy(phenyl)methyl]-1H-imidazol-2-yl]-2-phenylethanol?
The IUPAC name of (1S)-1-[5-[(R)-hydroxy(phenyl)methyl]-1H-imidazol-2-yl]-2-phenylethanol (CID 11243363) is (1S)-1-[5-[(R)-hydroxy(phenyl)methyl]-1H-imidazol-2-yl]-2-phenylethanol.
What is the SMILES notation for (1S)-1-[5-[(R)-hydroxy(phenyl)methyl]-1H-imidazol-2-yl]-2-phenylethanol?
The canonical SMILES for (1S)-1-[5-[(R)-hydroxy(phenyl)methyl]-1H-imidazol-2-yl]-2-phenylethanol is O[C@H](c1ccccc1)c1cnc([C@@H](O)Cc2ccccc2)[nH]1.
What is the InChIKey of (1S)-1-[5-[(R)-hydroxy(phenyl)methyl]-1H-imidazol-2-yl]-2-phenylethanol?
The InChIKey is POOTZRVZNGVQFN-DLBZAZTESA-N. The full InChI is InChI=1S/C18H18N2O2/c21-16(11-13-7-3-1-4-8-13)18-19-12-15(20-18)17(22)14-9-5-2-6-10-14/h1-10,12,16-17,21-22H,11H2,(H,19,20)/t16-,17+/m0/s1.
What are the key properties of (1S)-1-[5-[(R)-hydroxy(phenyl)methyl]-1H-imidazol-2-yl]-2-phenylethanol?
(1S)-1-[5-[(R)-hydroxy(phenyl)methyl]-1H-imidazol-2-yl]-2-phenylethanol has a molecular weight of 294.35 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-[(R)-hydroxy(phenyl)methyl]-1H-imidazol-2-yl]-2-phenylethanol is sourced from PubChem (CID 11243363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).