1-methyl-3-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-one

C14H17N3O3 — CID 944346

IUPAC1-methyl-3-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-one
SMILESCn1c(=O)n(CC(=O)N2CCOCC2)c2ccccc21
InChIInChI=1S/C14H17N3O3/c1-15-11-4-2-3-5-12(11)17(14(15)19)10-13(18)16-6-8-20-9-7-16/h2-5H,6-10H2,1H3
InChIKeyGPFXJBJXDLDKIJ-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.20
Rot. Bonds2

About 1-methyl-3-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-one

1-methyl-3-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-one (PubChem CID 944346) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-methyl-3-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-one
PubChem CID944346
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name1-methyl-3-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-one
SMILESCn1c(=O)n(CC(=O)N2CCOCC2)c2ccccc21
InChIInChI=1S/C14H17N3O3/c1-15-11-4-2-3-5-12(11)17(14(15)19)10-13(18)16-6-8-20-9-7-16/h2-5H,6-10H2,1H3
InChIKeyGPFXJBJXDLDKIJ-UHFFFAOYSA-N
XLogP0.20
TPSA56.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-(carboxymethyl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)acetic acid
CID 228472
2-(3-methyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)acetic acid
CID 773560
2-[2-Imino-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzimidazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 53361674
ethyl 2-(1-methyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-4-yl)acetate
CID 56680099
3-(2,3-Epithiopropyl)-1-(piperidinocarbonylmethyl)benzimidazol-2-one
CID 3283078
methyl 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)acetate;hydrobromide
CID 16192754
N-((2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl)-3-(2-morpholinoethyl)-2-oxo-2,3-dihydrobenzo[d]imidazole-1-carboxamide
CID 11553971
(S)-N-(1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl)-3-(2-morpholinoethyl)-2-oxo-2,3-dihydrobenzo[d]imidazole-1-carboxamide
CID 44576588
N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide
CID 44576623
N-cyclohexyl-3-(2-morpholinoethyl)-2-oxo-2,3-dihydrobenzo[d]imidazole-1-carboxamide
CID 44577004
(S)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-3-(2-morpholinoethyl)-2-oxo-2,3-dihydrobenzo[d]imidazole-1-carboxamide
CID 44593612
2-(3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-N-propylacetamide
CID 2001019

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-one?
The IUPAC name of 1-methyl-3-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-one (CID 944346) is 1-methyl-3-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-one.
What is the SMILES notation for 1-methyl-3-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-one?
The canonical SMILES for 1-methyl-3-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-one is Cn1c(=O)n(CC(=O)N2CCOCC2)c2ccccc21.
What is the InChIKey of 1-methyl-3-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-one?
The InChIKey is GPFXJBJXDLDKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-15-11-4-2-3-5-12(11)17(14(15)19)10-13(18)16-6-8-20-9-7-16/h2-5H,6-10H2,1H3.
What are the key properties of 1-methyl-3-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-one?
1-methyl-3-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-one has a molecular weight of 275.31 g/mol, XLogP of 0.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-one is sourced from PubChem (CID 944346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).