(1S)-2-[2-(2-cyclohexylpyrimidin-5-yl)imidazol-1-yl]-1-phenylethanol

C21H24N4O — CID 96572239

IUPAC(1S)-2-[2-(2-cyclohexylpyrimidin-5-yl)imidazol-1-yl]-1-phenylethanol
SMILESO[C@H](Cn1ccnc1-c1cnc(C2CCCCC2)nc1)c1ccccc1
InChIInChI=1S/C21H24N4O/c26-19(16-7-3-1-4-8-16)15-25-12-11-22-21(25)18-13-23-20(24-14-18)17-9-5-2-6-10-17/h1,3-4,7-8,11-14,17,19,26H,2,5-6,9-10,15H2/t19-/m1/s1
InChIKeyXXGDVARRFNDOSM-LJQANCHMSA-N
MW348.45 g/mol
LogP4.12
Rot. Bonds5

About (1S)-2-[2-(2-cyclohexylpyrimidin-5-yl)imidazol-1-yl]-1-phenylethanol

(1S)-2-[2-(2-cyclohexylpyrimidin-5-yl)imidazol-1-yl]-1-phenylethanol (PubChem CID 96572239) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is (1S)-2-[2-(2-cyclohexylpyrimidin-5-yl)imidazol-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name(1S)-2-[2-(2-cyclohexylpyrimidin-5-yl)imidazol-1-yl]-1-phenylethanol
PubChem CID96572239
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name(1S)-2-[2-(2-cyclohexylpyrimidin-5-yl)imidazol-1-yl]-1-phenylethanol
SMILESO[C@H](Cn1ccnc1-c1cnc(C2CCCCC2)nc1)c1ccccc1
InChIInChI=1S/C21H24N4O/c26-19(16-7-3-1-4-8-16)15-25-12-11-22-21(25)18-13-23-20(24-14-18)17-9-5-2-6-10-17/h1,3-4,7-8,11-14,17,19,26H,2,5-6,9-10,15H2/t19-/m1/s1
InChIKeyXXGDVARRFNDOSM-LJQANCHMSA-N
XLogP4.12
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-2-[2-(2-cyclohexylpyrimidin-5-yl)imidazol-1-yl]-1-phenylethanol with MolForge

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Related Compounds

1-(4-aminophenyl)-2-(2-phenylimidazol-1-yl)ethanol
CID 62265055
1-pyridin-3-yl-2-(2-pyridin-4-ylimidazol-1-yl)ethanol
CID 70721156
1-(2,6-difluorophenyl)-2-(2-phenylimidazol-1-yl)ethanol
CID 111440105
1-(3-methoxyphenyl)-2-(2-phenylimidazol-1-yl)ethanol
CID 110907755
2-cyclohexyl-5-[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-yl]pyrimidine
CID 70715525
1-(4-chlorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol
CID 109411423
1-(2-phenylimidazol-1-yl)propan-2-ol
CID 58743625
1-(2-phenylimidazol-1-yl)butan-2-ol
CID 58743669
4-[1-[(2R)-3-cyclohexyloxy-2-hydroxypropyl]imidazol-2-yl]phenol
CID 136847947
1-(2,6-difluorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol
CID 109411390
2-phenyl-3-(2-phenylimidazol-1-yl)propanenitrile
CID 64536556
1-(2-phenylimidazol-1-yl)pentan-2-ol
CID 62043887

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[2-(2-cyclohexylpyrimidin-5-yl)imidazol-1-yl]-1-phenylethanol?
The IUPAC name of (1S)-2-[2-(2-cyclohexylpyrimidin-5-yl)imidazol-1-yl]-1-phenylethanol (CID 96572239) is (1S)-2-[2-(2-cyclohexylpyrimidin-5-yl)imidazol-1-yl]-1-phenylethanol.
What is the SMILES notation for (1S)-2-[2-(2-cyclohexylpyrimidin-5-yl)imidazol-1-yl]-1-phenylethanol?
The canonical SMILES for (1S)-2-[2-(2-cyclohexylpyrimidin-5-yl)imidazol-1-yl]-1-phenylethanol is O[C@H](Cn1ccnc1-c1cnc(C2CCCCC2)nc1)c1ccccc1.
What is the InChIKey of (1S)-2-[2-(2-cyclohexylpyrimidin-5-yl)imidazol-1-yl]-1-phenylethanol?
The InChIKey is XXGDVARRFNDOSM-LJQANCHMSA-N. The full InChI is InChI=1S/C21H24N4O/c26-19(16-7-3-1-4-8-16)15-25-12-11-22-21(25)18-13-23-20(24-14-18)17-9-5-2-6-10-17/h1,3-4,7-8,11-14,17,19,26H,2,5-6,9-10,15H2/t19-/m1/s1.
What are the key properties of (1S)-2-[2-(2-cyclohexylpyrimidin-5-yl)imidazol-1-yl]-1-phenylethanol?
(1S)-2-[2-(2-cyclohexylpyrimidin-5-yl)imidazol-1-yl]-1-phenylethanol has a molecular weight of 348.45 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[2-(2-cyclohexylpyrimidin-5-yl)imidazol-1-yl]-1-phenylethanol is sourced from PubChem (CID 96572239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).