1-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylbenzimidazol-2-one

C17H17FN2O3 — CID 42947275

IUPAC1-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(CC(O)COc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C17H17FN2O3/c1-19-15-4-2-3-5-16(15)20(17(19)22)10-13(21)11-23-14-8-6-12(18)7-9-14/h2-9,13,21H,10-11H2,1H3
InChIKeyHJXAFYIXVNELLA-UHFFFAOYSA-N
MW316.33 g/mol
LogP1.92
Rot. Bonds5

About 1-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylbenzimidazol-2-one

1-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylbenzimidazol-2-one (PubChem CID 42947275) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is 1-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylbenzimidazol-2-one
PubChem CID42947275
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name1-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(CC(O)COc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C17H17FN2O3/c1-19-15-4-2-3-5-16(15)20(17(19)22)10-13(21)11-23-14-8-6-12(18)7-9-14/h2-9,13,21H,10-11H2,1H3
InChIKeyHJXAFYIXVNELLA-UHFFFAOYSA-N
XLogP1.92
TPSA56.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(4-acetylphenoxy)-2-hydroxypropyl]-3-methylbenzimidazol-2-one
CID 42890527
1-[(2R)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-3-methylbenzimidazol-2-one
CID 94817569
1-ethyl-3-(2-hydroxy-3-phenoxypropyl)benzimidazol-2-one
CID 53276332
1-(2,2-difluoroethyl)-3-methylbenzimidazol-2-one
CID 115978272
1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-methylbenzimidazol-2-one
CID 39984194
(2S)-1-(2-ethylbenzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol
CID 34363876
(2R)-1-(2-imino-3-methylbenzimidazol-1-yl)-3-phenoxypropan-2-ol
CID 745112
(2S)-1-(2-imino-3-methylbenzimidazol-1-yl)-3-phenoxypropan-2-ol
CID 745110
1-(2-imino-3-methylbenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol
CID 2947210
(2S)-1-(2-ethyl-3-methylbenzimidazol-3-ium-1-yl)-3-(4-fluorophenoxy)propan-2-ol
CID 806367
ethyl 3-hydroxy-4-(3-methyl-2-oxobenzimidazol-1-yl)butanoate
CID 82776970
1,3-bis(4-fluorophenoxy)propan-2-ol
CID 109412822

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylbenzimidazol-2-one?
The IUPAC name of 1-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylbenzimidazol-2-one (CID 42947275) is 1-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylbenzimidazol-2-one.
What is the SMILES notation for 1-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylbenzimidazol-2-one?
The canonical SMILES for 1-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylbenzimidazol-2-one is Cn1c(=O)n(CC(O)COc2ccc(F)cc2)c2ccccc21.
What is the InChIKey of 1-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylbenzimidazol-2-one?
The InChIKey is HJXAFYIXVNELLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-19-15-4-2-3-5-16(15)20(17(19)22)10-13(21)11-23-14-8-6-12(18)7-9-14/h2-9,13,21H,10-11H2,1H3.
What are the key properties of 1-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylbenzimidazol-2-one?
1-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylbenzimidazol-2-one has a molecular weight of 316.33 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylbenzimidazol-2-one is sourced from PubChem (CID 42947275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).