3-[(2R)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazol-2-yl]pyridine

C16H17N3O — CID 781274

IUPAC3-[(2R)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazol-2-yl]pyridine
SMILESCC1(C)C(c2ccccc2)=N[C@@H](c2cccnc2)N1O
InChIInChI=1S/C16H17N3O/c1-16(2)14(12-7-4-3-5-8-12)18-15(19(16)20)13-9-6-10-17-11-13/h3-11,15,20H,1-2H3/t15-/m1/s1
InChIKeyILDXDHGIXWBHLY-OAHLLOKOSA-N
MW267.33 g/mol
LogP3.05
Rot. Bonds2

About 3-[(2R)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazol-2-yl]pyridine

3-[(2R)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazol-2-yl]pyridine (PubChem CID 781274) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[(2R)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazol-2-yl]pyridine.

Molecular Properties

Compound Name3-[(2R)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazol-2-yl]pyridine
PubChem CID781274
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name3-[(2R)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazol-2-yl]pyridine
SMILESCC1(C)C(c2ccccc2)=N[C@@H](c2cccnc2)N1O
InChIInChI=1S/C16H17N3O/c1-16(2)14(12-7-4-3-5-8-12)18-15(19(16)20)13-9-6-10-17-11-13/h3-11,15,20H,1-2H3/t15-/m1/s1
InChIKeyILDXDHGIXWBHLY-OAHLLOKOSA-N
XLogP3.05
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-bromophenyl)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazole
CID 781310
3-(3-hydroxy-4,4-dimethyl-1-oxido-5-phenyl-2H-imidazol-1-ium-2-yl)pyridine
CID 2850564
N-[(1-methyl-6-phenyl-2-pyridin-3-yl-2H-1,3,5-triazin-4-yl)methyl]aniline
CID 123330936
3-(5,5-dimethyl-3-oxido-4-phenyl-4H-imidazol-2-yl)pyridine
CID 163179161
3-(9,9,10,10-tetramethyl-3,6,7-tripyridin-3-ylanthracen-2-yl)pyridine
CID 59649089
(4R)-5,5-dimethyl-3-oxido-4-phenyl-2-pyridin-3-ylimidazolidin-4-ol
CID 163141041
5,5-dimethyl-6-phenyl-3-pyridin-3-yl-2H-1,2,4-triazine
CID 102265994
(2S,5R)-2,4,5-triphenyl-1,3-diazabicyclo[3.1.0]hex-3-ene
CID 7471917
1-methyl-2-pyridin-3-ylcyclopropane-1-carbonitrile
CID 116842082
3-[1-hydroxy-2,2,5,5-tetramethyl-4-(2-methylpropyl)pyrrol-3-yl]pyridine
CID 145262793
2-benzyl-5-methyl-3-pyridin-3-yl-3,4-dihydropyrazole-4-carboxylic acid
CID 82072861
starbld0041303
CID 155894831

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazol-2-yl]pyridine?
The IUPAC name of 3-[(2R)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazol-2-yl]pyridine (CID 781274) is 3-[(2R)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazol-2-yl]pyridine.
What is the SMILES notation for 3-[(2R)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazol-2-yl]pyridine?
The canonical SMILES for 3-[(2R)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazol-2-yl]pyridine is CC1(C)C(c2ccccc2)=N[C@@H](c2cccnc2)N1O.
What is the InChIKey of 3-[(2R)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazol-2-yl]pyridine?
The InChIKey is ILDXDHGIXWBHLY-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H17N3O/c1-16(2)14(12-7-4-3-5-8-12)18-15(19(16)20)13-9-6-10-17-11-13/h3-11,15,20H,1-2H3/t15-/m1/s1.
What are the key properties of 3-[(2R)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazol-2-yl]pyridine?
3-[(2R)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazol-2-yl]pyridine has a molecular weight of 267.33 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazol-2-yl]pyridine is sourced from PubChem (CID 781274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).