(6R)-2-methyl-6-(2-pyridin-4-ylimidazol-1-yl)heptan-2-ol

C16H23N3O — CID 95226529

IUPAC(6R)-2-methyl-6-(2-pyridin-4-ylimidazol-1-yl)heptan-2-ol
SMILESC[C@H](CCCC(C)(C)O)n1ccnc1-c1ccncc1
InChIInChI=1S/C16H23N3O/c1-13(5-4-8-16(2,3)20)19-12-11-18-15(19)14-6-9-17-10-7-14/h6-7,9-13,20H,4-5,8H2,1-3H3/t13-/m1/s1
InChIKeyZVBPBUYMZSPUQS-CYBMUJFWSA-N
MW273.38 g/mol
LogP3.45
Rot. Bonds6

About (6R)-2-methyl-6-(2-pyridin-4-ylimidazol-1-yl)heptan-2-ol

(6R)-2-methyl-6-(2-pyridin-4-ylimidazol-1-yl)heptan-2-ol (PubChem CID 95226529) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is (6R)-2-methyl-6-(2-pyridin-4-ylimidazol-1-yl)heptan-2-ol.

Molecular Properties

Compound Name(6R)-2-methyl-6-(2-pyridin-4-ylimidazol-1-yl)heptan-2-ol
PubChem CID95226529
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name(6R)-2-methyl-6-(2-pyridin-4-ylimidazol-1-yl)heptan-2-ol
SMILESC[C@H](CCCC(C)(C)O)n1ccnc1-c1ccncc1
InChIInChI=1S/C16H23N3O/c1-13(5-4-8-16(2,3)20)19-12-11-18-15(19)14-6-9-17-10-7-14/h6-7,9-13,20H,4-5,8H2,1-3H3/t13-/m1/s1
InChIKeyZVBPBUYMZSPUQS-CYBMUJFWSA-N
XLogP3.45
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6R)-6-[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]-2-methylheptan-2-ol
CID 95207678
2-methyl-6-[(2S)-2-(2-pyridin-4-ylimidazol-1-yl)propyl]pyridine
CID 95553750
4-[2-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]pyridine
CID 56899751
3-(2-phenylimidazol-1-yl)butanoic acid
CID 53211630
2-phenyl-1-propan-2-ylimidazole
CID 12997870
1,1,1-trifluoro-3-(2-pyridin-4-ylimidazol-1-yl)propan-2-ol
CID 86792569
1-(2-pyridin-4-ylimidazol-1-yl)propan-1-one
CID 174454423
N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-1-methylimidazole-2-carboxamide
CID 164634011
(6S)-2,6-dimethyl-8-[3-(2-methylimidazol-1-yl)propylamino]octan-2-ol
CID 92861415
1-octan-2-yl-2-tridecan-2-ylimidazole
CID 69409116
2-decan-2-yl-1-nonadecan-2-ylimidazole
CID 69408162
3-pyridin-3-yl-5-[(1R)-1-(2-pyridin-4-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazole
CID 95545239

Frequently Asked Questions

What is the IUPAC name of (6R)-2-methyl-6-(2-pyridin-4-ylimidazol-1-yl)heptan-2-ol?
The IUPAC name of (6R)-2-methyl-6-(2-pyridin-4-ylimidazol-1-yl)heptan-2-ol (CID 95226529) is (6R)-2-methyl-6-(2-pyridin-4-ylimidazol-1-yl)heptan-2-ol.
What is the SMILES notation for (6R)-2-methyl-6-(2-pyridin-4-ylimidazol-1-yl)heptan-2-ol?
The canonical SMILES for (6R)-2-methyl-6-(2-pyridin-4-ylimidazol-1-yl)heptan-2-ol is C[C@H](CCCC(C)(C)O)n1ccnc1-c1ccncc1.
What is the InChIKey of (6R)-2-methyl-6-(2-pyridin-4-ylimidazol-1-yl)heptan-2-ol?
The InChIKey is ZVBPBUYMZSPUQS-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13(5-4-8-16(2,3)20)19-12-11-18-15(19)14-6-9-17-10-7-14/h6-7,9-13,20H,4-5,8H2,1-3H3/t13-/m1/s1.
What are the key properties of (6R)-2-methyl-6-(2-pyridin-4-ylimidazol-1-yl)heptan-2-ol?
(6R)-2-methyl-6-(2-pyridin-4-ylimidazol-1-yl)heptan-2-ol has a molecular weight of 273.38 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-methyl-6-(2-pyridin-4-ylimidazol-1-yl)heptan-2-ol is sourced from PubChem (CID 95226529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).