2,2-dimethyl-3-[methyl-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]amino]propanenitrile

C14H18N4O — CID 115234145

IUPAC2,2-dimethyl-3-[methyl-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]amino]propanenitrile
SMILESCN(Cc1ccc2[nH]c(=O)[nH]c2c1)CC(C)(C)C#N
InChIInChI=1S/C14H18N4O/c1-14(2,8-15)9-18(3)7-10-4-5-11-12(6-10)17-13(19)16-11/h4-6H,7,9H2,1-3H3,(H2,16,17,19)
InChIKeyZWSGBTABVIZTHN-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.84
Rot. Bonds4

About 2,2-dimethyl-3-[methyl-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]amino]propanenitrile

2,2-dimethyl-3-[methyl-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]amino]propanenitrile (PubChem CID 115234145) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2,2-dimethyl-3-[methyl-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]amino]propanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-3-[methyl-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]amino]propanenitrile
PubChem CID115234145
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2,2-dimethyl-3-[methyl-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]amino]propanenitrile
SMILESCN(Cc1ccc2[nH]c(=O)[nH]c2c1)CC(C)(C)C#N
InChIInChI=1S/C14H18N4O/c1-14(2,8-15)9-18(3)7-10-4-5-11-12(6-10)17-13(19)16-11/h4-6H,7,9H2,1-3H3,(H2,16,17,19)
InChIKeyZWSGBTABVIZTHN-UHFFFAOYSA-N
XLogP1.84
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]cyanamide
CID 117043544
5-[[methyl(4-oxopentyl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 115236618
5-[[methyl-[2-methyl-1-(methylamino)propan-2-yl]amino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 115132846
3-cyano-N-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide
CID 115173887
5-[[(3-aminocyclobutyl)methyl-methylamino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 115214209
3-[(4-ethoxyphenyl)methyl-methylamino]-2,2-dimethylpropanenitrile
CID 115234114
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 111663080
N,N-dimethyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)methanesulfonamide
CID 22745222
N,N-dimethyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 22745185
2-cyano-N,2-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 115175053
5-(fluoromethyl)-1,3-dihydrobenzimidazol-2-one
CID 70140559
5-(methylsulfonylmethyl)-1,3-dihydrobenzimidazol-2-one
CID 22745310

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[methyl-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]amino]propanenitrile?
The IUPAC name of 2,2-dimethyl-3-[methyl-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]amino]propanenitrile (CID 115234145) is 2,2-dimethyl-3-[methyl-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]amino]propanenitrile.
What is the SMILES notation for 2,2-dimethyl-3-[methyl-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]amino]propanenitrile?
The canonical SMILES for 2,2-dimethyl-3-[methyl-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]amino]propanenitrile is CN(Cc1ccc2[nH]c(=O)[nH]c2c1)CC(C)(C)C#N.
What is the InChIKey of 2,2-dimethyl-3-[methyl-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]amino]propanenitrile?
The InChIKey is ZWSGBTABVIZTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-14(2,8-15)9-18(3)7-10-4-5-11-12(6-10)17-13(19)16-11/h4-6H,7,9H2,1-3H3,(H2,16,17,19).
What are the key properties of 2,2-dimethyl-3-[methyl-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]amino]propanenitrile?
2,2-dimethyl-3-[methyl-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]amino]propanenitrile has a molecular weight of 258.32 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[methyl-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]amino]propanenitrile is sourced from PubChem (CID 115234145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).