(2R)-1-(3-tert-butyl-2H-imidazol-1-yl)-2-phenylpropan-2-ol

C16H24N2O — CID 101382116

IUPAC(2R)-1-(3-tert-butyl-2H-imidazol-1-yl)-2-phenylpropan-2-ol
SMILESCC(C)(C)N1C=CN(C[C@](C)(O)c2ccccc2)C1
InChIInChI=1S/C16H24N2O/c1-15(2,3)18-11-10-17(13-18)12-16(4,19)14-8-6-5-7-9-14/h5-11,19H,12-13H2,1-4H3/t16-/m0/s1
InChIKeyVYCIYKDWNXRAGR-INIZCTEOSA-N
MW260.38 g/mol
LogP2.74
Rot. Bonds3

About (2R)-1-(3-tert-butyl-2H-imidazol-1-yl)-2-phenylpropan-2-ol

(2R)-1-(3-tert-butyl-2H-imidazol-1-yl)-2-phenylpropan-2-ol (PubChem CID 101382116) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (2R)-1-(3-tert-butyl-2H-imidazol-1-yl)-2-phenylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-(3-tert-butyl-2H-imidazol-1-yl)-2-phenylpropan-2-ol
PubChem CID101382116
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(2R)-1-(3-tert-butyl-2H-imidazol-1-yl)-2-phenylpropan-2-ol
SMILESCC(C)(C)N1C=CN(C[C@](C)(O)c2ccccc2)C1
InChIInChI=1S/C16H24N2O/c1-15(2,3)18-11-10-17(13-18)12-16(4,19)14-8-6-5-7-9-14/h5-11,19H,12-13H2,1-4H3/t16-/m0/s1
InChIKeyVYCIYKDWNXRAGR-INIZCTEOSA-N
XLogP2.74
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 204441
1-(Dimethylamino)-2-phenylbutan-2-ol
CID 20561659
2-(Diethylamino)-1,1-diphenylethanol
CID 96431
Benzeneethanol, alpha-((diethylamino)methyl)-alpha-phenyl-
CID 3054342
5-Methyl-2-(4-morpholinyl)-3-phenyl-2,3-dihydro-1H-pyrrole-1,3-diol
CID 382417
a-(Dimethylaminomethyl)-a-methylbenzyl alcohol
CID 12628014
alpha-(Dimethylaminomethyl)-alpha-ethylbenzyl alcohol hydrochloride
CID 129318536
1-(Dibutylamino)-2-phenylpropan-2-ol
CID 242442
2-[3-[3-(2,2-dimethylpropyl)-1-methyl-2H-imidazol-4-yl]-4-fluorophenyl]propan-2-ol
CID 89496569
7-[4-(4-fluorophenyl)phenyl]-2-methyl-5,6-dihydro-3H-pyrrolo[1,2-c]imidazol-7-ol
CID 142141041
1-tert-Butyl-5-methyl-3-phenyl-piperidin-3-ol
CID 615982
2-[2-(Dimethylamino)ethyl-methylamino]-1,1-diphenylethanol
CID 90946401

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-tert-butyl-2H-imidazol-1-yl)-2-phenylpropan-2-ol?
The IUPAC name of (2R)-1-(3-tert-butyl-2H-imidazol-1-yl)-2-phenylpropan-2-ol (CID 101382116) is (2R)-1-(3-tert-butyl-2H-imidazol-1-yl)-2-phenylpropan-2-ol.
What is the SMILES notation for (2R)-1-(3-tert-butyl-2H-imidazol-1-yl)-2-phenylpropan-2-ol?
The canonical SMILES for (2R)-1-(3-tert-butyl-2H-imidazol-1-yl)-2-phenylpropan-2-ol is CC(C)(C)N1C=CN(C[C@](C)(O)c2ccccc2)C1.
What is the InChIKey of (2R)-1-(3-tert-butyl-2H-imidazol-1-yl)-2-phenylpropan-2-ol?
The InChIKey is VYCIYKDWNXRAGR-INIZCTEOSA-N. The full InChI is InChI=1S/C16H24N2O/c1-15(2,3)18-11-10-17(13-18)12-16(4,19)14-8-6-5-7-9-14/h5-11,19H,12-13H2,1-4H3/t16-/m0/s1.
What are the key properties of (2R)-1-(3-tert-butyl-2H-imidazol-1-yl)-2-phenylpropan-2-ol?
(2R)-1-(3-tert-butyl-2H-imidazol-1-yl)-2-phenylpropan-2-ol has a molecular weight of 260.38 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-tert-butyl-2H-imidazol-1-yl)-2-phenylpropan-2-ol is sourced from PubChem (CID 101382116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).