1-ethyl-3-(2-hydroxy-3-phenoxypropyl)benzimidazol-2-one

C18H20N2O3 — CID 53276332

IUPAC1-ethyl-3-(2-hydroxy-3-phenoxypropyl)benzimidazol-2-one
SMILESCCn1c(=O)n(CC(O)COc2ccccc2)c2ccccc21
InChIInChI=1S/C18H20N2O3/c1-2-19-16-10-6-7-11-17(16)20(18(19)22)12-14(21)13-23-15-8-4-3-5-9-15/h3-11,14,21H,2,12-13H2,1H3
InChIKeyNCJDFBOGIVOILK-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.26
Rot. Bonds6

About 1-ethyl-3-(2-hydroxy-3-phenoxypropyl)benzimidazol-2-one

1-ethyl-3-(2-hydroxy-3-phenoxypropyl)benzimidazol-2-one (PubChem CID 53276332) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-ethyl-3-(2-hydroxy-3-phenoxypropyl)benzimidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-(2-hydroxy-3-phenoxypropyl)benzimidazol-2-one
PubChem CID53276332
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name1-ethyl-3-(2-hydroxy-3-phenoxypropyl)benzimidazol-2-one
SMILESCCn1c(=O)n(CC(O)COc2ccccc2)c2ccccc21
InChIInChI=1S/C18H20N2O3/c1-2-19-16-10-6-7-11-17(16)20(18(19)22)12-14(21)13-23-15-8-4-3-5-9-15/h3-11,14,21H,2,12-13H2,1H3
InChIKeyNCJDFBOGIVOILK-UHFFFAOYSA-N
XLogP2.26
TPSA56.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]benzimidazol-2-one
CID 52566005
1-[(2S)-3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-3-ethylbenzimidazol-2-one
CID 52566018
1-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylbenzimidazol-2-one
CID 42947275
1-[3-(4-acetylphenoxy)-2-hydroxypropyl]-3-methylbenzimidazol-2-one
CID 42890527
(2S)-1-(2-imino-3-methylbenzimidazol-1-yl)-3-phenoxypropan-2-ol
CID 745110
(2R)-1-(2-imino-3-methylbenzimidazol-1-yl)-3-phenoxypropan-2-ol
CID 745112
1-(2-aminobutyl)-3-ethylbenzimidazol-2-one
CID 82168070
(2R)-1-(4-chlorophenoxy)-3-(3-ethyl-2-iminobenzimidazol-1-yl)propan-2-ol
CID 828194
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide
CID 18121552
3-[3-(4-acetylphenoxy)-2-hydroxypropyl]-1-ethyl-N,N-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 42955380
2-[3-[(2R)-2-hydroxybutyl]-2-oxobenzimidazol-1-yl]acetic acid
CID 95735437
(2R)-1-(3-heptyl-2-iminobenzimidazol-1-yl)-3-phenoxypropan-2-ol
CID 98123592

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-hydroxy-3-phenoxypropyl)benzimidazol-2-one?
The IUPAC name of 1-ethyl-3-(2-hydroxy-3-phenoxypropyl)benzimidazol-2-one (CID 53276332) is 1-ethyl-3-(2-hydroxy-3-phenoxypropyl)benzimidazol-2-one.
What is the SMILES notation for 1-ethyl-3-(2-hydroxy-3-phenoxypropyl)benzimidazol-2-one?
The canonical SMILES for 1-ethyl-3-(2-hydroxy-3-phenoxypropyl)benzimidazol-2-one is CCn1c(=O)n(CC(O)COc2ccccc2)c2ccccc21.
What is the InChIKey of 1-ethyl-3-(2-hydroxy-3-phenoxypropyl)benzimidazol-2-one?
The InChIKey is NCJDFBOGIVOILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-2-19-16-10-6-7-11-17(16)20(18(19)22)12-14(21)13-23-15-8-4-3-5-9-15/h3-11,14,21H,2,12-13H2,1H3.
What are the key properties of 1-ethyl-3-(2-hydroxy-3-phenoxypropyl)benzimidazol-2-one?
1-ethyl-3-(2-hydroxy-3-phenoxypropyl)benzimidazol-2-one has a molecular weight of 312.37 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-hydroxy-3-phenoxypropyl)benzimidazol-2-one is sourced from PubChem (CID 53276332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).