(2S)-1-(2-pyridin-4-ylimidazol-1-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol

C21H23N3O2 — CID 99774818

IUPAC(2S)-1-(2-pyridin-4-ylimidazol-1-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
SMILESO[C@H](CO[C@H]1CCCc2ccccc21)Cn1ccnc1-c1ccncc1
InChIInChI=1S/C21H23N3O2/c25-18(14-24-13-12-23-21(24)17-8-10-22-11-9-17)15-26-20-7-3-5-16-4-1-2-6-19(16)20/h1-2,4,6,8-13,18,20,25H,3,5,7,14-15H2/t18-,20-/m0/s1
InChIKeyNBFZZRJSPPNQDD-ICSRJNTNSA-N
MW349.43 g/mol
LogP3.40
Rot. Bonds6

About (2S)-1-(2-pyridin-4-ylimidazol-1-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol

(2S)-1-(2-pyridin-4-ylimidazol-1-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol (PubChem CID 99774818) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is (2S)-1-(2-pyridin-4-ylimidazol-1-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(2-pyridin-4-ylimidazol-1-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
PubChem CID99774818
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name(2S)-1-(2-pyridin-4-ylimidazol-1-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
SMILESO[C@H](CO[C@H]1CCCc2ccccc21)Cn1ccnc1-c1ccncc1
InChIInChI=1S/C21H23N3O2/c25-18(14-24-13-12-23-21(24)17-8-10-22-11-9-17)15-26-20-7-3-5-16-4-1-2-6-19(16)20/h1-2,4,6,8-13,18,20,25H,3,5,7,14-15H2/t18-,20-/m0/s1
InChIKeyNBFZZRJSPPNQDD-ICSRJNTNSA-N
XLogP3.40
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylimidazol-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
CID 75432626
(2R)-1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 97157254
(2S)-1-(4-methylpiperazin-1-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 2121484
1-[(2R)-2-hydroxy-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]-1,2,4-triazole-3-carbonitrile
CID 97243294
7-[(2S)-2-hydroxy-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]-1,3-dimethylpurine-2,6-dione
CID 25371742
1-(4-propan-2-ylpiperazin-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
CID 110887836
(2S)-1-(4-pyrrol-1-ylpyrazol-1-yl)-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 99696620
4-[1-[(2R)-3-cyclohexyloxy-2-hydroxypropyl]imidazol-2-yl]phenol
CID 136847947
3-[(2R)-2-hydroxy-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 26012304
(2S)-1-[4-(2-methoxyethyl)piperazin-1-yl]-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 95348112
(2S)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 25324147
(2R)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 25324144

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-pyridin-4-ylimidazol-1-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol?
The IUPAC name of (2S)-1-(2-pyridin-4-ylimidazol-1-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol (CID 99774818) is (2S)-1-(2-pyridin-4-ylimidazol-1-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol.
What is the SMILES notation for (2S)-1-(2-pyridin-4-ylimidazol-1-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol?
The canonical SMILES for (2S)-1-(2-pyridin-4-ylimidazol-1-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol is O[C@H](CO[C@H]1CCCc2ccccc21)Cn1ccnc1-c1ccncc1.
What is the InChIKey of (2S)-1-(2-pyridin-4-ylimidazol-1-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol?
The InChIKey is NBFZZRJSPPNQDD-ICSRJNTNSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-18(14-24-13-12-23-21(24)17-8-10-22-11-9-17)15-26-20-7-3-5-16-4-1-2-6-19(16)20/h1-2,4,6,8-13,18,20,25H,3,5,7,14-15H2/t18-,20-/m0/s1.
What are the key properties of (2S)-1-(2-pyridin-4-ylimidazol-1-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol?
(2S)-1-(2-pyridin-4-ylimidazol-1-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol has a molecular weight of 349.43 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-pyridin-4-ylimidazol-1-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol is sourced from PubChem (CID 99774818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).