1-(2-methylimidazol-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol

C17H22N2O2 — CID 75432626

IUPAC1-(2-methylimidazol-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
SMILESCc1nccn1CC(O)COC1CCCc2ccccc21
InChIInChI=1S/C17H22N2O2/c1-13-18-9-10-19(13)11-15(20)12-21-17-8-4-6-14-5-2-3-7-16(14)17/h2-3,5,7,9-10,15,17,20H,4,6,8,11-12H2,1H3
InChIKeyJUMWRQMGVSCGOQ-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.65
Rot. Bonds5

About 1-(2-methylimidazol-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol

1-(2-methylimidazol-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol (PubChem CID 75432626) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(2-methylimidazol-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-methylimidazol-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
PubChem CID75432626
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-(2-methylimidazol-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
SMILESCc1nccn1CC(O)COC1CCCc2ccccc21
InChIInChI=1S/C17H22N2O2/c1-13-18-9-10-19(13)11-15(20)12-21-17-8-4-6-14-5-2-3-7-16(14)17/h2-3,5,7,9-10,15,17,20H,4,6,8,11-12H2,1H3
InChIKeyJUMWRQMGVSCGOQ-UHFFFAOYSA-N
XLogP2.65
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(2-pyridin-4-ylimidazol-1-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 99774818
(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-(4-propan-2-ylpiperazin-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
CID 110887836
7-[(2S)-2-hydroxy-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]-1,3-dimethylpurine-2,6-dione
CID 25371742
1-[(2R)-2-hydroxy-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]-1,2,4-triazole-3-carbonitrile
CID 97243294
(2R)-1-(2-methylimidazol-1-yl)-3-phenoxypropan-2-ol
CID 696935
(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-(4-pyrrol-1-ylpyrazol-1-yl)-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 99696620
(2R)-1-methylsulfonyl-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 95173175
1-(3-methylmorpholin-4-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
CID 110888300
1-[methyl(propyl)amino]-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
CID 110909701

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylimidazol-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol?
The IUPAC name of 1-(2-methylimidazol-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol (CID 75432626) is 1-(2-methylimidazol-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol.
What is the SMILES notation for 1-(2-methylimidazol-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol?
The canonical SMILES for 1-(2-methylimidazol-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol is Cc1nccn1CC(O)COC1CCCc2ccccc21.
What is the InChIKey of 1-(2-methylimidazol-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol?
The InChIKey is JUMWRQMGVSCGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-13-18-9-10-19(13)11-15(20)12-21-17-8-4-6-14-5-2-3-7-16(14)17/h2-3,5,7,9-10,15,17,20H,4,6,8,11-12H2,1H3.
What are the key properties of 1-(2-methylimidazol-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol?
1-(2-methylimidazol-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol has a molecular weight of 286.38 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylimidazol-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol is sourced from PubChem (CID 75432626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).