(2R)-1-cyclohexyloxy-3-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)propan-2-ol

C23H27N3O2 — CID 95123927

IUPAC(2R)-1-cyclohexyloxy-3-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)propan-2-ol
SMILESO[C@@H](COC1CCCCC1)Cn1cnc(-c2ccccc2)c1-c1ccncc1
InChIInChI=1S/C23H27N3O2/c27-20(16-28-21-9-5-2-6-10-21)15-26-17-25-22(18-7-3-1-4-8-18)23(26)19-11-13-24-14-12-19/h1,3-4,7-8,11-14,17,20-21,27H,2,5-6,9-10,15-16H2/t20-/m1/s1
InChIKeyJIHQSPYNKUEKSK-HXUWFJFHSA-N
MW377.49 g/mol
LogP4.32
Rot. Bonds7

About (2R)-1-cyclohexyloxy-3-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)propan-2-ol

(2R)-1-cyclohexyloxy-3-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)propan-2-ol (PubChem CID 95123927) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is (2R)-1-cyclohexyloxy-3-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-cyclohexyloxy-3-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)propan-2-ol
PubChem CID95123927
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name(2R)-1-cyclohexyloxy-3-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)propan-2-ol
SMILESO[C@@H](COC1CCCCC1)Cn1cnc(-c2ccccc2)c1-c1ccncc1
InChIInChI=1S/C23H27N3O2/c27-20(16-28-21-9-5-2-6-10-21)15-26-17-25-22(18-7-3-1-4-8-18)23(26)19-11-13-24-14-12-19/h1,3-4,7-8,11-14,17,20-21,27H,2,5-6,9-10,15-16H2/t20-/m1/s1
InChIKeyJIHQSPYNKUEKSK-HXUWFJFHSA-N
XLogP4.32
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-cyclohexyloxy-3-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-cyclohexyloxy-3-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)propan-2-ol (CID 95123927) is (2R)-1-cyclohexyloxy-3-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-cyclohexyloxy-3-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-cyclohexyloxy-3-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)propan-2-ol is O[C@@H](COC1CCCCC1)Cn1cnc(-c2ccccc2)c1-c1ccncc1.
What is the InChIKey of (2R)-1-cyclohexyloxy-3-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)propan-2-ol?
The InChIKey is JIHQSPYNKUEKSK-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H27N3O2/c27-20(16-28-21-9-5-2-6-10-21)15-26-17-25-22(18-7-3-1-4-8-18)23(26)19-11-13-24-14-12-19/h1,3-4,7-8,11-14,17,20-21,27H,2,5-6,9-10,15-16H2/t20-/m1/s1.
What are the key properties of (2R)-1-cyclohexyloxy-3-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)propan-2-ol?
(2R)-1-cyclohexyloxy-3-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)propan-2-ol has a molecular weight of 377.49 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-cyclohexyloxy-3-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 95123927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).