(2R)-1-(1-chloronaphthalen-2-yl)oxy-3-imidazol-1-ylpropan-2-ol

C16H15ClN2O2 — CID 714826

IUPAC(2R)-1-(1-chloronaphthalen-2-yl)oxy-3-imidazol-1-ylpropan-2-ol
SMILESO[C@@H](COc1ccc2ccccc2c1Cl)Cn1ccnc1
InChIInChI=1S/C16H15ClN2O2/c17-16-14-4-2-1-3-12(14)5-6-15(16)21-10-13(20)9-19-8-7-18-11-19/h1-8,11,13,20H,9-10H2/t13-/m1/s1
InChIKeyGSNNOKDBTTZMEU-CYBMUJFWSA-N
MW302.76 g/mol
LogP3.13
Rot. Bonds5

About (2R)-1-(1-chloronaphthalen-2-yl)oxy-3-imidazol-1-ylpropan-2-ol

(2R)-1-(1-chloronaphthalen-2-yl)oxy-3-imidazol-1-ylpropan-2-ol (PubChem CID 714826) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is (2R)-1-(1-chloronaphthalen-2-yl)oxy-3-imidazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-(1-chloronaphthalen-2-yl)oxy-3-imidazol-1-ylpropan-2-ol
PubChem CID714826
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name(2R)-1-(1-chloronaphthalen-2-yl)oxy-3-imidazol-1-ylpropan-2-ol
SMILESO[C@@H](COc1ccc2ccccc2c1Cl)Cn1ccnc1
InChIInChI=1S/C16H15ClN2O2/c17-16-14-4-2-1-3-12(14)5-6-15(16)21-10-13(20)9-19-8-7-18-11-19/h1-8,11,13,20H,9-10H2/t13-/m1/s1
InChIKeyGSNNOKDBTTZMEU-CYBMUJFWSA-N
XLogP3.13
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(1-chloronaphthalen-2-yl)oxypropyl]imidazole
CID 2994656
(2R)-1-(1-chloronaphthalen-2-yl)oxy-3-morpholin-4-ylpropan-2-ol
CID 2058887
(2R)-1-imidazol-1-yl-3-pyridin-3-yloxypropan-2-ol
CID 58930396
4-(2-hydroxy-3-imidazol-1-ylpropoxy)-2H-phthalazin-1-one
CID 10379234
(2R)-1-(4-aminophenoxy)-3-imidazol-1-ylpropan-2-ol
CID 7449350
(2R)-1-imidazol-1-yl-3-(4-methylphenoxy)propan-2-ol
CID 40549247
1-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-3-(1-chloronaphthalen-2-yl)oxypropan-2-ol
CID 3458952
1-carbazol-9-yl-3-imidazol-1-ylpropan-2-ol;ethane
CID 144822333
(2R)-1-(3,5-dimethoxyphenoxy)-3-imidazol-1-ylpropan-2-ol
CID 1090501
N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-2-imidazol-1-ylacetamide
CID 71849299
(2R)-1-(1-chloronaphthalen-2-yl)oxy-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol
CID 7125230
3-[(2S)-2-hydroxy-3-imidazol-1-ylpropoxy]benzoic acid
CID 35140762

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1-chloronaphthalen-2-yl)oxy-3-imidazol-1-ylpropan-2-ol?
The IUPAC name of (2R)-1-(1-chloronaphthalen-2-yl)oxy-3-imidazol-1-ylpropan-2-ol (CID 714826) is (2R)-1-(1-chloronaphthalen-2-yl)oxy-3-imidazol-1-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-(1-chloronaphthalen-2-yl)oxy-3-imidazol-1-ylpropan-2-ol?
The canonical SMILES for (2R)-1-(1-chloronaphthalen-2-yl)oxy-3-imidazol-1-ylpropan-2-ol is O[C@@H](COc1ccc2ccccc2c1Cl)Cn1ccnc1.
What is the InChIKey of (2R)-1-(1-chloronaphthalen-2-yl)oxy-3-imidazol-1-ylpropan-2-ol?
The InChIKey is GSNNOKDBTTZMEU-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c17-16-14-4-2-1-3-12(14)5-6-15(16)21-10-13(20)9-19-8-7-18-11-19/h1-8,11,13,20H,9-10H2/t13-/m1/s1.
What are the key properties of (2R)-1-(1-chloronaphthalen-2-yl)oxy-3-imidazol-1-ylpropan-2-ol?
(2R)-1-(1-chloronaphthalen-2-yl)oxy-3-imidazol-1-ylpropan-2-ol has a molecular weight of 302.76 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1-chloronaphthalen-2-yl)oxy-3-imidazol-1-ylpropan-2-ol is sourced from PubChem (CID 714826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).