1-(4-methoxyphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol;hydrochloride

C24H25ClN2O4 — CID 172933925

IUPAC1-(4-methoxyphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol;hydrochloride
SMILESCOc1ccc(OCC(O)Cn2c(COc3ccccc3)nc3ccccc32)cc1.Cl
InChIInChI=1S/C24H24N2O4.ClH/c1-28-19-11-13-21(14-12-19)29-16-18(27)15-26-23-10-6-5-9-22(23)25-24(26)17-30-20-7-3-2-4-8-20;/h2-14,18,27H,15-17H2,1H3;1H
InChIKeyZYKCLFAICWPZHH-UHFFFAOYSA-N
MW440.93 g/mol
LogP4.49
Rot. Bonds9

About 1-(4-methoxyphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol;hydrochloride

1-(4-methoxyphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol;hydrochloride (PubChem CID 172933925) has the molecular formula C24H25ClN2O4 and a molecular weight of 440.93 g/mol. Its IUPAC name is 1-(4-methoxyphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(4-methoxyphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol;hydrochloride
PubChem CID172933925
Molecular FormulaC24H25ClN2O4
Molecular Weight440.93 g/mol
Exact Mass440.15
IUPAC Name1-(4-methoxyphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol;hydrochloride
SMILESCOc1ccc(OCC(O)Cn2c(COc3ccccc3)nc3ccccc32)cc1.Cl
InChIInChI=1S/C24H24N2O4.ClH/c1-28-19-11-13-21(14-12-19)29-16-18(27)15-26-23-10-6-5-9-22(23)25-24(26)17-30-20-7-3-2-4-8-20;/h2-14,18,27H,15-17H2,1H3;1H
InChIKeyZYKCLFAICWPZHH-UHFFFAOYSA-N
XLogP4.49
TPSA65.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methylphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol
CID 43837450
1-(4-bromophenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol;hydrochloride
CID 172933936
1-[2-(phenoxymethyl)benzimidazol-1-yl]-3-propan-2-yloxypropan-2-ol
CID 110882964
(2S)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-(4-phenylmethoxyphenoxy)propan-2-ol
CID 1317864
1-(3,5-dimethylphenoxy)-3-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol
CID 46270267
(2R)-1-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-3-(4-methoxyphenoxy)propan-2-ol
CID 92727554
(2R)-1-(2-benzylbenzimidazol-1-yl)-3-(3,5-dimethoxyphenoxy)propan-2-ol
CID 1090499
1-(4-methylphenoxy)-3-[2-[(2,4,6-trimethylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol
CID 156620697
(2R)-1-(3,4-dimethylphenoxy)-3-[2-(methoxymethyl)benzimidazol-1-yl]propan-2-ol
CID 27408285
(2R)-1-(2-ethylbenzimidazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol
CID 27408227
(2S)-1-(2-ethylbenzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol
CID 34363876
1-[2-[(2,6-dimethylphenoxy)methyl]benzimidazol-1-yl]-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 156620738

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol;hydrochloride?
The IUPAC name of 1-(4-methoxyphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol;hydrochloride (CID 172933925) is 1-(4-methoxyphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(4-methoxyphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol;hydrochloride?
The canonical SMILES for 1-(4-methoxyphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol;hydrochloride is COc1ccc(OCC(O)Cn2c(COc3ccccc3)nc3ccccc32)cc1.Cl.
What is the InChIKey of 1-(4-methoxyphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol;hydrochloride?
The InChIKey is ZYKCLFAICWPZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4.ClH/c1-28-19-11-13-21(14-12-19)29-16-18(27)15-26-23-10-6-5-9-22(23)25-24(26)17-30-20-7-3-2-4-8-20;/h2-14,18,27H,15-17H2,1H3;1H.
What are the key properties of 1-(4-methoxyphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol;hydrochloride?
1-(4-methoxyphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol;hydrochloride has a molecular weight of 440.93 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol;hydrochloride is sourced from PubChem (CID 172933925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).