1-naphthalen-1-yloxy-3-(2-pyrazin-2-ylimidazol-1-yl)propan-2-ol

C20H18N4O2 — CID 109411438

IUPAC1-naphthalen-1-yloxy-3-(2-pyrazin-2-ylimidazol-1-yl)propan-2-ol
SMILESOC(COc1cccc2ccccc12)Cn1ccnc1-c1cnccn1
InChIInChI=1S/C20H18N4O2/c25-16(13-24-11-10-23-20(24)18-12-21-8-9-22-18)14-26-19-7-3-5-15-4-1-2-6-17(15)19/h1-12,16,25H,13-14H2
InChIKeyFXWULZWILZBNOR-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.93
Rot. Bonds6

About 1-naphthalen-1-yloxy-3-(2-pyrazin-2-ylimidazol-1-yl)propan-2-ol

1-naphthalen-1-yloxy-3-(2-pyrazin-2-ylimidazol-1-yl)propan-2-ol (PubChem CID 109411438) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 1-naphthalen-1-yloxy-3-(2-pyrazin-2-ylimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-naphthalen-1-yloxy-3-(2-pyrazin-2-ylimidazol-1-yl)propan-2-ol
PubChem CID109411438
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name1-naphthalen-1-yloxy-3-(2-pyrazin-2-ylimidazol-1-yl)propan-2-ol
SMILESOC(COc1cccc2ccccc12)Cn1ccnc1-c1cnccn1
InChIInChI=1S/C20H18N4O2/c25-16(13-24-11-10-23-20(24)18-12-21-8-9-22-18)14-26-19-7-3-5-15-4-1-2-6-17(15)19/h1-12,16,25H,13-14H2
InChIKeyFXWULZWILZBNOR-UHFFFAOYSA-N
XLogP2.93
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-methylphenoxy)-3-(2-pyrazin-2-ylimidazol-1-yl)propan-2-ol
CID 109411455
1-naphthalen-1-yloxy-3-(2-propylimidazol-1-yl)propan-2-ol
CID 109411288
(2R)-1-(3-methylbenzimidazol-3-ium-1-yl)-3-naphthalen-1-yloxypropan-2-ol
CID 40503008
1-naphthalen-1-yloxy-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 14556459
1-(1H-indol-4-yloxy)-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol
CID 75514070
(2S)-1-(2-methylphenoxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol
CID 125135773
(2R)-1-(2-methylimidazol-1-yl)-3-phenoxypropan-2-ol
CID 696935
1-[(4-methoxyphenyl)methoxy]-3-(2-pyridin-2-ylimidazol-1-yl)propan-2-ol
CID 109411365
1-naphthalen-1-yloxy-3-(4-nitroimidazol-1-yl)propan-2-ol
CID 42948829
4-amino-1-naphthalen-1-yloxybutan-2-ol
CID 86215876
3-(2-hydroxy-3-naphthalen-1-yloxypropyl)-1,2,3-benzotriazin-4-one
CID 17469213
(2R)-1-(1-chloronaphthalen-2-yl)oxy-3-imidazol-1-ylpropan-2-ol
CID 714826

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yloxy-3-(2-pyrazin-2-ylimidazol-1-yl)propan-2-ol?
The IUPAC name of 1-naphthalen-1-yloxy-3-(2-pyrazin-2-ylimidazol-1-yl)propan-2-ol (CID 109411438) is 1-naphthalen-1-yloxy-3-(2-pyrazin-2-ylimidazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-naphthalen-1-yloxy-3-(2-pyrazin-2-ylimidazol-1-yl)propan-2-ol?
The canonical SMILES for 1-naphthalen-1-yloxy-3-(2-pyrazin-2-ylimidazol-1-yl)propan-2-ol is OC(COc1cccc2ccccc12)Cn1ccnc1-c1cnccn1.
What is the InChIKey of 1-naphthalen-1-yloxy-3-(2-pyrazin-2-ylimidazol-1-yl)propan-2-ol?
The InChIKey is FXWULZWILZBNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c25-16(13-24-11-10-23-20(24)18-12-21-8-9-22-18)14-26-19-7-3-5-15-4-1-2-6-17(15)19/h1-12,16,25H,13-14H2.
What are the key properties of 1-naphthalen-1-yloxy-3-(2-pyrazin-2-ylimidazol-1-yl)propan-2-ol?
1-naphthalen-1-yloxy-3-(2-pyrazin-2-ylimidazol-1-yl)propan-2-ol has a molecular weight of 346.39 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yloxy-3-(2-pyrazin-2-ylimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 109411438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).