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

C13H14N4O2 — CID 115175053

IUPAC2-cyano-N,2-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
SMILESCN(C(=O)C(C)(C)C#N)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H14N4O2/c1-13(2,7-14)11(18)17(3)8-4-5-9-10(6-8)16-12(19)15-9/h4-6H,1-3H3,(H2,15,16,19)
InChIKeyDUPPITDMAARZKQ-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.37
Rot. Bonds2

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

2-cyano-N,2-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide (PubChem CID 115175053) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-cyano-N,2-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide.

Molecular Properties

Compound Name2-cyano-N,2-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
PubChem CID115175053
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name2-cyano-N,2-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
SMILESCN(C(=O)C(C)(C)C#N)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H14N4O2/c1-13(2,7-14)11(18)17(3)8-4-5-9-10(6-8)16-12(19)15-9/h4-6H,1-3H3,(H2,15,16,19)
InChIKeyDUPPITDMAARZKQ-UHFFFAOYSA-N
XLogP1.37
TPSA92.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N,2-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 115178687
N,2-dimethyl-2-(methylamino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 115165676
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
5-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 115257804
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
2,2-dimethyl-3-[methyl-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]amino]propanenitrile
CID 115234145
N-(4-bromothiophen-2-yl)-2-cyano-N,2-dimethylpropanamide
CID 115175042
5-[hydrazinylmethyl(methyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 115260667
2-[3-chloro-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phenyl]-2-methylpropanenitrile
CID 122656686

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N,2-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The IUPAC name of 2-cyano-N,2-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide (CID 115175053) is 2-cyano-N,2-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide.
What is the SMILES notation for 2-cyano-N,2-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The canonical SMILES for 2-cyano-N,2-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide is CN(C(=O)C(C)(C)C#N)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 2-cyano-N,2-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The InChIKey is DUPPITDMAARZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-13(2,7-14)11(18)17(3)8-4-5-9-10(6-8)16-12(19)15-9/h4-6H,1-3H3,(H2,15,16,19).
What are the key properties of 2-cyano-N,2-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
2-cyano-N,2-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide has a molecular weight of 258.28 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N,2-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide is sourced from PubChem (CID 115175053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).