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

C19H20N2O4 — CID 42890527

IUPAC1-[3-(4-acetylphenoxy)-2-hydroxypropyl]-3-methylbenzimidazol-2-one
SMILESCC(=O)c1ccc(OCC(O)Cn2c(=O)n(C)c3ccccc32)cc1
InChIInChI=1S/C19H20N2O4/c1-13(22)14-7-9-16(10-8-14)25-12-15(23)11-21-18-6-4-3-5-17(18)20(2)19(21)24/h3-10,15,23H,11-12H2,1-2H3
InChIKeyQCPMITNMGZBLDN-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.98
Rot. Bonds6

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

1-[3-(4-acetylphenoxy)-2-hydroxypropyl]-3-methylbenzimidazol-2-one (PubChem CID 42890527) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-[3-(4-acetylphenoxy)-2-hydroxypropyl]-3-methylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[3-(4-acetylphenoxy)-2-hydroxypropyl]-3-methylbenzimidazol-2-one
PubChem CID42890527
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name1-[3-(4-acetylphenoxy)-2-hydroxypropyl]-3-methylbenzimidazol-2-one
SMILESCC(=O)c1ccc(OCC(O)Cn2c(=O)n(C)c3ccccc32)cc1
InChIInChI=1S/C19H20N2O4/c1-13(22)14-7-9-16(10-8-14)25-12-15(23)11-21-18-6-4-3-5-17(18)20(2)19(21)24/h3-10,15,23H,11-12H2,1-2H3
InChIKeyQCPMITNMGZBLDN-UHFFFAOYSA-N
XLogP1.98
TPSA73.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylbenzimidazol-2-one
CID 42947275
1-[(2R)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-3-methylbenzimidazol-2-one
CID 94817569
1-[3-(4-acetylphenoxy)-2-hydroxypropyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 55536267
1-[4-[3-(2-ethylbenzimidazol-1-yl)-2-hydroxypropoxy]phenyl]ethanone
CID 4294955
1-ethyl-3-(2-hydroxy-3-phenoxypropyl)benzimidazol-2-one
CID 53276332
1-[4-[(2R)-3-(benzotriazol-1-yl)-2-hydroxypropoxy]phenyl]ethanone
CID 799262
1-[4-[(2S)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-hydroxypropoxy]phenyl]ethanone
CID 7157868
3-[3-(4-acetylphenoxy)-2-hydroxypropyl]-1-ethyl-N,N-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 42955380
ethyl 3-hydroxy-4-(3-methyl-2-oxobenzimidazol-1-yl)butanoate
CID 82776970
1-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone;hydrochloride
CID 16806994
1-[4-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]ethanone
CID 4227652
1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-methylbenzimidazol-2-one
CID 39984194

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-acetylphenoxy)-2-hydroxypropyl]-3-methylbenzimidazol-2-one?
The IUPAC name of 1-[3-(4-acetylphenoxy)-2-hydroxypropyl]-3-methylbenzimidazol-2-one (CID 42890527) is 1-[3-(4-acetylphenoxy)-2-hydroxypropyl]-3-methylbenzimidazol-2-one.
What is the SMILES notation for 1-[3-(4-acetylphenoxy)-2-hydroxypropyl]-3-methylbenzimidazol-2-one?
The canonical SMILES for 1-[3-(4-acetylphenoxy)-2-hydroxypropyl]-3-methylbenzimidazol-2-one is CC(=O)c1ccc(OCC(O)Cn2c(=O)n(C)c3ccccc32)cc1.
What is the InChIKey of 1-[3-(4-acetylphenoxy)-2-hydroxypropyl]-3-methylbenzimidazol-2-one?
The InChIKey is QCPMITNMGZBLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-13(22)14-7-9-16(10-8-14)25-12-15(23)11-21-18-6-4-3-5-17(18)20(2)19(21)24/h3-10,15,23H,11-12H2,1-2H3.
What are the key properties of 1-[3-(4-acetylphenoxy)-2-hydroxypropyl]-3-methylbenzimidazol-2-one?
1-[3-(4-acetylphenoxy)-2-hydroxypropyl]-3-methylbenzimidazol-2-one has a molecular weight of 340.38 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-acetylphenoxy)-2-hydroxypropyl]-3-methylbenzimidazol-2-one is sourced from PubChem (CID 42890527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).