1-(4-fluorophenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol

C20H21FN2O3 — CID 138960724

IUPAC1-(4-fluorophenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol
SMILESOC(COc1ccc(F)cc1)Cn1c(C2CCCO2)nc2ccccc21
InChIInChI=1S/C20H21FN2O3/c21-14-7-9-16(10-8-14)26-13-15(24)12-23-18-5-2-1-4-17(18)22-20(23)19-6-3-11-25-19/h1-2,4-5,7-10,15,19,24H,3,6,11-13H2
InChIKeyCQQJVAWPAFGKMQ-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.47
Rot. Bonds6

About 1-(4-fluorophenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol

1-(4-fluorophenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol (PubChem CID 138960724) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is 1-(4-fluorophenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol
PubChem CID138960724
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name1-(4-fluorophenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol
SMILESOC(COc1ccc(F)cc1)Cn1c(C2CCCO2)nc2ccccc21
InChIInChI=1S/C20H21FN2O3/c21-14-7-9-16(10-8-14)26-13-15(24)12-23-18-5-2-1-4-17(18)22-20(23)19-6-3-11-25-19/h1-2,4-5,7-10,15,19,24H,3,6,11-13H2
InChIKeyCQQJVAWPAFGKMQ-UHFFFAOYSA-N
XLogP3.47
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,6-dimethoxyphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride
CID 138960725
1-[2-(oxolan-2-yl)benzimidazol-1-yl]-3-(2,4,6-trimethylphenoxy)propan-2-ol
CID 138960700
1-(2,5-dimethylphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride
CID 138960703
1-(2-chloro-4-methylphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol
CID 138960775
1-(2-chloro-4-methylphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride
CID 138960774
1-[(4-methylphenyl)methoxy]-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride
CID 138960739
(2S)-1-(2-ethylbenzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol
CID 34363876
(4R)-1-(4-fluorophenyl)-4-[1-[(2S)-2-hydroxy-3-phenoxypropyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 27407865
1-naphthalen-2-yloxy-3-[2-(oxan-4-yl)benzimidazol-1-yl]propan-2-ol
CID 138960604
1-[4-[3-(2-cyclopentylbenzimidazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one;hydrochloride
CID 138960285
2-[(2S)-oxolan-2-yl]-1-(3-phenoxypropyl)benzimidazole
CID 51430251
1-(2-fluorophenoxy)-3-[2-(oxan-4-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride
CID 138960561

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol?
The IUPAC name of 1-(4-fluorophenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol (CID 138960724) is 1-(4-fluorophenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-(4-fluorophenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol?
The canonical SMILES for 1-(4-fluorophenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol is OC(COc1ccc(F)cc1)Cn1c(C2CCCO2)nc2ccccc21.
What is the InChIKey of 1-(4-fluorophenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol?
The InChIKey is CQQJVAWPAFGKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c21-14-7-9-16(10-8-14)26-13-15(24)12-23-18-5-2-1-4-17(18)22-20(23)19-6-3-11-25-19/h1-2,4-5,7-10,15,19,24H,3,6,11-13H2.
What are the key properties of 1-(4-fluorophenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol?
1-(4-fluorophenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol has a molecular weight of 356.40 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol is sourced from PubChem (CID 138960724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).