2-amino-2-(1,2-dimethylbenzimidazol-5-yl)-N-methylacetamide

C12H16N4O — CID 116850441

IUPAC2-amino-2-(1,2-dimethylbenzimidazol-5-yl)-N-methylacetamide
SMILESCNC(=O)C(N)c1ccc2c(c1)nc(C)n2C
InChIInChI=1S/C12H16N4O/c1-7-15-9-6-8(11(13)12(17)14-2)4-5-10(9)16(7)3/h4-6,11H,13H2,1-3H3,(H,14,17)
InChIKeyMEZYQMFTBBRDJX-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.63
Rot. Bonds2

About 2-amino-2-(1,2-dimethylbenzimidazol-5-yl)-N-methylacetamide

2-amino-2-(1,2-dimethylbenzimidazol-5-yl)-N-methylacetamide (PubChem CID 116850441) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-amino-2-(1,2-dimethylbenzimidazol-5-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-amino-2-(1,2-dimethylbenzimidazol-5-yl)-N-methylacetamide
PubChem CID116850441
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-amino-2-(1,2-dimethylbenzimidazol-5-yl)-N-methylacetamide
SMILESCNC(=O)C(N)c1ccc2c(c1)nc(C)n2C
InChIInChI=1S/C12H16N4O/c1-7-15-9-6-8(11(13)12(17)14-2)4-5-10(9)16(7)3/h4-6,11H,13H2,1-3H3,(H,14,17)
InChIKeyMEZYQMFTBBRDJX-UHFFFAOYSA-N
XLogP0.63
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

amino-(1,2-dimethylbenzimidazol-5-yl)methanol
CID 116939675
3-amino-3-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropanoic acid
CID 116938084
1-(1,2-dimethylbenzimidazol-5-yl)-1-N-methylpropane-1,2-diamine
CID 116948132
1-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropan-1-amine
CID 82493454
2-[amino-(1,2-dimethylbenzimidazol-5-yl)methyl]cyclopropane-1-carboxylic acid
CID 116938647
3-(1,2-dimethylbenzimidazol-5-yl)-3-(methylamino)propan-1-ol
CID 116952870
(1,2-dimethylbenzimidazol-5-yl)-(4-methoxyphenyl)methanamine
CID 91873506
1-[(1,2-dimethylbenzimidazol-5-yl)-(methylamino)methyl]cyclopropan-1-amine
CID 116961257
methyl N-(1,2-dimethylbenzimidazol-5-yl)carbamate
CID 110779217
1-(1,2-dimethylbenzimidazol-5-yl)-2-propan-2-ylpropane-1,3-diamine
CID 116945795
1-(1,2-dimethylbenzimidazol-5-yl)-N,2-dimethylbutane-1,4-diamine
CID 116949624
1-[(1,2-dimethylbenzimidazol-5-yl)amino]propan-2-one
CID 115234497

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1,2-dimethylbenzimidazol-5-yl)-N-methylacetamide?
The IUPAC name of 2-amino-2-(1,2-dimethylbenzimidazol-5-yl)-N-methylacetamide (CID 116850441) is 2-amino-2-(1,2-dimethylbenzimidazol-5-yl)-N-methylacetamide.
What is the SMILES notation for 2-amino-2-(1,2-dimethylbenzimidazol-5-yl)-N-methylacetamide?
The canonical SMILES for 2-amino-2-(1,2-dimethylbenzimidazol-5-yl)-N-methylacetamide is CNC(=O)C(N)c1ccc2c(c1)nc(C)n2C.
What is the InChIKey of 2-amino-2-(1,2-dimethylbenzimidazol-5-yl)-N-methylacetamide?
The InChIKey is MEZYQMFTBBRDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-7-15-9-6-8(11(13)12(17)14-2)4-5-10(9)16(7)3/h4-6,11H,13H2,1-3H3,(H,14,17).
What are the key properties of 2-amino-2-(1,2-dimethylbenzimidazol-5-yl)-N-methylacetamide?
2-amino-2-(1,2-dimethylbenzimidazol-5-yl)-N-methylacetamide has a molecular weight of 232.29 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1,2-dimethylbenzimidazol-5-yl)-N-methylacetamide is sourced from PubChem (CID 116850441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).