(2S)-1-[2-[(1R)-1-hydroxyethyl]benzimidazol-1-yl]-3-(3-methoxyphenoxy)propan-2-ol

C19H22N2O4 — CID 7425022

IUPAC(2S)-1-[2-[(1R)-1-hydroxyethyl]benzimidazol-1-yl]-3-(3-methoxyphenoxy)propan-2-ol
SMILESCOc1cccc(OC[C@@H](O)Cn2c([C@@H](C)O)nc3ccccc32)c1
InChIInChI=1S/C19H22N2O4/c1-13(22)19-20-17-8-3-4-9-18(17)21(19)11-14(23)12-25-16-7-5-6-15(10-16)24-2/h3-10,13-14,22-23H,11-12H2,1-2H3/t13-,14+/m1/s1
InChIKeyHMOJLHBNPYMKPH-KGLIPLIRSA-N
MW342.40 g/mol
LogP2.54
Rot. Bonds7

About (2S)-1-[2-[(1R)-1-hydroxyethyl]benzimidazol-1-yl]-3-(3-methoxyphenoxy)propan-2-ol

(2S)-1-[2-[(1R)-1-hydroxyethyl]benzimidazol-1-yl]-3-(3-methoxyphenoxy)propan-2-ol (PubChem CID 7425022) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is (2S)-1-[2-[(1R)-1-hydroxyethyl]benzimidazol-1-yl]-3-(3-methoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[2-[(1R)-1-hydroxyethyl]benzimidazol-1-yl]-3-(3-methoxyphenoxy)propan-2-ol
PubChem CID7425022
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name(2S)-1-[2-[(1R)-1-hydroxyethyl]benzimidazol-1-yl]-3-(3-methoxyphenoxy)propan-2-ol
SMILESCOc1cccc(OC[C@@H](O)Cn2c([C@@H](C)O)nc3ccccc32)c1
InChIInChI=1S/C19H22N2O4/c1-13(22)19-20-17-8-3-4-9-18(17)21(19)11-14(23)12-25-16-7-5-6-15(10-16)24-2/h3-10,13-14,22-23H,11-12H2,1-2H3/t13-,14+/m1/s1
InChIKeyHMOJLHBNPYMKPH-KGLIPLIRSA-N
XLogP2.54
TPSA76.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethanol
CID 16995356
(2S)-1-[2-[(1R)-1-hydroxyethyl]benzimidazol-1-yl]-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 7425030
1-naphthalen-2-yloxy-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol
CID 15998647
1-(2-cyclobutylbenzimidazol-1-yl)-3-(3-methoxyphenoxy)propan-2-ol;hydrochloride
CID 138961191
(2R)-1-(3,5-dimethylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol
CID 96571408
(2R)-1-(benzotriazol-1-yl)-3-(3-methoxyphenoxy)propan-2-ol
CID 769663
(2R)-1-(2-benzylbenzimidazol-1-yl)-3-(3,5-dimethoxyphenoxy)propan-2-ol
CID 1090499
1-(4-methoxyphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol;hydrochloride
CID 172933925
1-(2-butan-2-ylbenzimidazol-1-yl)-3-(2-tert-butyl-4-methoxyphenoxy)propan-2-ol;hydrochloride
CID 138960820
(2R)-1-carbazol-9-yl-3-[2-[(1R)-1-hydroxyethyl]benzimidazol-1-yl]propan-2-ol
CID 7000828
1-(2-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol;hydrochloride
CID 138960886
[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]-phenylmethanol
CID 16995132

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[(1R)-1-hydroxyethyl]benzimidazol-1-yl]-3-(3-methoxyphenoxy)propan-2-ol?
The IUPAC name of (2S)-1-[2-[(1R)-1-hydroxyethyl]benzimidazol-1-yl]-3-(3-methoxyphenoxy)propan-2-ol (CID 7425022) is (2S)-1-[2-[(1R)-1-hydroxyethyl]benzimidazol-1-yl]-3-(3-methoxyphenoxy)propan-2-ol.
What is the SMILES notation for (2S)-1-[2-[(1R)-1-hydroxyethyl]benzimidazol-1-yl]-3-(3-methoxyphenoxy)propan-2-ol?
The canonical SMILES for (2S)-1-[2-[(1R)-1-hydroxyethyl]benzimidazol-1-yl]-3-(3-methoxyphenoxy)propan-2-ol is COc1cccc(OC[C@@H](O)Cn2c([C@@H](C)O)nc3ccccc32)c1.
What is the InChIKey of (2S)-1-[2-[(1R)-1-hydroxyethyl]benzimidazol-1-yl]-3-(3-methoxyphenoxy)propan-2-ol?
The InChIKey is HMOJLHBNPYMKPH-KGLIPLIRSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-13(22)19-20-17-8-3-4-9-18(17)21(19)11-14(23)12-25-16-7-5-6-15(10-16)24-2/h3-10,13-14,22-23H,11-12H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of (2S)-1-[2-[(1R)-1-hydroxyethyl]benzimidazol-1-yl]-3-(3-methoxyphenoxy)propan-2-ol?
(2S)-1-[2-[(1R)-1-hydroxyethyl]benzimidazol-1-yl]-3-(3-methoxyphenoxy)propan-2-ol has a molecular weight of 342.40 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-[(1R)-1-hydroxyethyl]benzimidazol-1-yl]-3-(3-methoxyphenoxy)propan-2-ol is sourced from PubChem (CID 7425022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).