1-imidazol-1-yl-3-naphthalen-2-yloxypropan-2-ol

C16H16N2O2 — CID 652948

IUPAC1-imidazol-1-yl-3-naphthalen-2-yloxypropan-2-ol
SMILESOC(COc1ccc2ccccc2c1)Cn1ccnc1
InChIInChI=1S/C16H16N2O2/c19-15(10-18-8-7-17-12-18)11-20-16-6-5-13-3-1-2-4-14(13)9-16/h1-9,12,15,19H,10-11H2
InChIKeyQBQBSFYUSAXAQA-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.48
Rot. Bonds5

About 1-imidazol-1-yl-3-naphthalen-2-yloxypropan-2-ol

1-imidazol-1-yl-3-naphthalen-2-yloxypropan-2-ol (PubChem CID 652948) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-imidazol-1-yl-3-naphthalen-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-imidazol-1-yl-3-naphthalen-2-yloxypropan-2-ol
PubChem CID652948
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name1-imidazol-1-yl-3-naphthalen-2-yloxypropan-2-ol
SMILESOC(COc1ccc2ccccc2c1)Cn1ccnc1
InChIInChI=1S/C16H16N2O2/c19-15(10-18-8-7-17-12-18)11-20-16-6-5-13-3-1-2-4-14(13)9-16/h1-9,12,15,19H,10-11H2
InChIKeyQBQBSFYUSAXAQA-UHFFFAOYSA-N
XLogP2.48
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

SKF-96365 free base
CID 104956
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CID 2843775
2-Imidazol-1-yl-1-(4-phenoxyphenyl)ethanol
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1-[2-(4-Benzylphenoxy)ethyl]-1H-imidazole
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1-[2-[4-Methoxy-3-[3-(4-methoxyphenyl)propoxy]phenyl]ethyl]imidazole
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CID 11957693
4-Imidazol-1-yl-1-(4-methoxyphenyl)butan-2-ol
CID 20282392
[2-(6-Benzyloxy-naphthalen-2-yl)-2-imidazol-1-yl-1-methyl-ethyl]-dimethyl-amine
CID 44390134
1-[3-(4-tert-butylphenoxy)propyl]-1H-imidazole
CID 2843930
1-[3-(3-methylphenoxy)propyl]-1H-imidazole
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1-[2-(4-isopropyl-3-methylphenoxy)ethyl]-1H-imidazole
CID 803122

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-3-naphthalen-2-yloxypropan-2-ol?
The IUPAC name of 1-imidazol-1-yl-3-naphthalen-2-yloxypropan-2-ol (CID 652948) is 1-imidazol-1-yl-3-naphthalen-2-yloxypropan-2-ol.
What is the SMILES notation for 1-imidazol-1-yl-3-naphthalen-2-yloxypropan-2-ol?
The canonical SMILES for 1-imidazol-1-yl-3-naphthalen-2-yloxypropan-2-ol is OC(COc1ccc2ccccc2c1)Cn1ccnc1.
What is the InChIKey of 1-imidazol-1-yl-3-naphthalen-2-yloxypropan-2-ol?
The InChIKey is QBQBSFYUSAXAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-15(10-18-8-7-17-12-18)11-20-16-6-5-13-3-1-2-4-14(13)9-16/h1-9,12,15,19H,10-11H2.
What are the key properties of 1-imidazol-1-yl-3-naphthalen-2-yloxypropan-2-ol?
1-imidazol-1-yl-3-naphthalen-2-yloxypropan-2-ol has a molecular weight of 268.32 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-3-naphthalen-2-yloxypropan-2-ol is sourced from PubChem (CID 652948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).