2-hydroxy-N,2-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide

C12H15N3O3 — CID 115178687

IUPAC2-hydroxy-N,2-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
SMILESCN(C(=O)C(C)(C)O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C12H15N3O3/c1-12(2,18)10(16)15(3)7-4-5-8-9(6-7)14-11(17)13-8/h4-6,18H,1-3H3,(H2,13,14,17)
InChIKeyBJIKTKIFXZVWPE-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.59
Rot. Bonds2

About 2-hydroxy-N,2-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide

2-hydroxy-N,2-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide (PubChem CID 115178687) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-hydroxy-N,2-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide.

Molecular Properties

Compound Name2-hydroxy-N,2-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
PubChem CID115178687
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name2-hydroxy-N,2-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
SMILESCN(C(=O)C(C)(C)O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C12H15N3O3/c1-12(2,18)10(16)15(3)7-4-5-8-9(6-7)14-11(17)13-8/h4-6,18H,1-3H3,(H2,13,14,17)
InChIKeyBJIKTKIFXZVWPE-UHFFFAOYSA-N
XLogP0.59
TPSA89.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-2-(methylamino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 115165676
2-cyano-N,2-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 115175053
1-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
CID 115168271
methyl 3-[methyl-(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-3-oxopropanoate
CID 115174253
ethyl 2-[methyl-(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoacetate
CID 115141927
N-methyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692356
N,N-dimethyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 22745221
5-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 115257804
N-(3-fluoro-4-methoxyphenyl)-2-hydroxy-N,2-dimethylpropanamide
CID 115178621
N-(3-ethyl-4-methoxyphenyl)-2-hydroxy-N,2-dimethylpropanamide
CID 115178652
5-[hydrazinylmethyl(methyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 115260667
5-(didodecylamino)-1,3-dihydrobenzimidazol-2-one
CID 52913034

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N,2-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The IUPAC name of 2-hydroxy-N,2-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide (CID 115178687) is 2-hydroxy-N,2-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide.
What is the SMILES notation for 2-hydroxy-N,2-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The canonical SMILES for 2-hydroxy-N,2-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide is CN(C(=O)C(C)(C)O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 2-hydroxy-N,2-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The InChIKey is BJIKTKIFXZVWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-12(2,18)10(16)15(3)7-4-5-8-9(6-7)14-11(17)13-8/h4-6,18H,1-3H3,(H2,13,14,17).
What are the key properties of 2-hydroxy-N,2-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
2-hydroxy-N,2-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide has a molecular weight of 249.27 g/mol, XLogP of 0.59, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N,2-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide is sourced from PubChem (CID 115178687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).