(2S)-1-imidazol-1-yl-4,4-dimethyl-2-pyridin-3-ylpentan-2-ol

C15H21N3O — CID 27876388

IUPAC(2S)-1-imidazol-1-yl-4,4-dimethyl-2-pyridin-3-ylpentan-2-ol
SMILESCC(C)(C)C[C@@](O)(Cn1ccnc1)c1cccnc1
InChIInChI=1S/C15H21N3O/c1-14(2,3)10-15(19,11-18-8-7-17-12-18)13-5-4-6-16-9-13/h4-9,12,19H,10-11H2,1-3H3/t15-/m1/s1
InChIKeyJXDLQMDZGPQRNC-OAHLLOKOSA-N
MW259.35 g/mol
LogP2.60
Rot. Bonds4

About (2S)-1-imidazol-1-yl-4,4-dimethyl-2-pyridin-3-ylpentan-2-ol

(2S)-1-imidazol-1-yl-4,4-dimethyl-2-pyridin-3-ylpentan-2-ol (PubChem CID 27876388) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (2S)-1-imidazol-1-yl-4,4-dimethyl-2-pyridin-3-ylpentan-2-ol.

Molecular Properties

Compound Name(2S)-1-imidazol-1-yl-4,4-dimethyl-2-pyridin-3-ylpentan-2-ol
PubChem CID27876388
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(2S)-1-imidazol-1-yl-4,4-dimethyl-2-pyridin-3-ylpentan-2-ol
SMILESCC(C)(C)C[C@@](O)(Cn1ccnc1)c1cccnc1
InChIInChI=1S/C15H21N3O/c1-14(2,3)10-15(19,11-18-8-7-17-12-18)13-5-4-6-16-9-13/h4-9,12,19H,10-11H2,1-3H3/t15-/m1/s1
InChIKeyJXDLQMDZGPQRNC-OAHLLOKOSA-N
XLogP2.60
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-imidazol-1-yl-4,4-dimethyl-2-pyridin-2-ylpentan-2-ol
CID 27876382
(E,2S)-4-(4-bromophenyl)-1-imidazol-1-yl-2-pyridin-3-ylbut-3-en-2-ol
CID 27876368
2,4-dimethyl-4-pyridin-3-ylpentan-2-ol
CID 145044151
1-imidazol-1-yl-3-methyl-2-phenylbutan-2-ol
CID 178019209
2-imidazol-1-yl-1-(4-methylphenyl)-1-phenylethanol
CID 15085528
1-(2,2,2-triphenylethyl)imidazole
CID 53325760
N,N-diethyl-2-hydroxy-4,4-dimethyl-2-pyridin-3-ylpentanamide
CID 11076778
2-imidazol-1-yl-1-phenyl-1-(4-phenylphenyl)ethanol
CID 13013640
1-imidazol-1-yl-2,3-dimethylbutan-2-ol
CID 114447498
1-imidazol-1-yl-2-methyl-4-phenylbutan-2-ol
CID 22762802
1-fluoro-2-pyridin-3-ylpropan-2-ol
CID 89407695
2,8-dimethyl-5-pyridin-3-ylnonan-5-ol
CID 21420922

Frequently Asked Questions

What is the IUPAC name of (2S)-1-imidazol-1-yl-4,4-dimethyl-2-pyridin-3-ylpentan-2-ol?
The IUPAC name of (2S)-1-imidazol-1-yl-4,4-dimethyl-2-pyridin-3-ylpentan-2-ol (CID 27876388) is (2S)-1-imidazol-1-yl-4,4-dimethyl-2-pyridin-3-ylpentan-2-ol.
What is the SMILES notation for (2S)-1-imidazol-1-yl-4,4-dimethyl-2-pyridin-3-ylpentan-2-ol?
The canonical SMILES for (2S)-1-imidazol-1-yl-4,4-dimethyl-2-pyridin-3-ylpentan-2-ol is CC(C)(C)C[C@@](O)(Cn1ccnc1)c1cccnc1.
What is the InChIKey of (2S)-1-imidazol-1-yl-4,4-dimethyl-2-pyridin-3-ylpentan-2-ol?
The InChIKey is JXDLQMDZGPQRNC-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H21N3O/c1-14(2,3)10-15(19,11-18-8-7-17-12-18)13-5-4-6-16-9-13/h4-9,12,19H,10-11H2,1-3H3/t15-/m1/s1.
What are the key properties of (2S)-1-imidazol-1-yl-4,4-dimethyl-2-pyridin-3-ylpentan-2-ol?
(2S)-1-imidazol-1-yl-4,4-dimethyl-2-pyridin-3-ylpentan-2-ol has a molecular weight of 259.35 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-imidazol-1-yl-4,4-dimethyl-2-pyridin-3-ylpentan-2-ol is sourced from PubChem (CID 27876388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).