2-(2-amino-3H-benzimidazol-5-yl)-N,N-dimethylacetamide

C11H14N4O — CID 90332895

IUPAC2-(2-amino-3H-benzimidazol-5-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccc2nc(N)[nH]c2c1
InChIInChI=1S/C11H14N4O/c1-15(2)10(16)6-7-3-4-8-9(5-7)14-11(12)13-8/h3-5H,6H2,1-2H3,(H3,12,13,14)
InChIKeyLFEXYFCYCUBAON-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.78
Rot. Bonds2

About 2-(2-amino-3H-benzimidazol-5-yl)-N,N-dimethylacetamide

2-(2-amino-3H-benzimidazol-5-yl)-N,N-dimethylacetamide (PubChem CID 90332895) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(2-amino-3H-benzimidazol-5-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(2-amino-3H-benzimidazol-5-yl)-N,N-dimethylacetamide
PubChem CID90332895
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-(2-amino-3H-benzimidazol-5-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccc2nc(N)[nH]c2c1
InChIInChI=1S/C11H14N4O/c1-15(2)10(16)6-7-3-4-8-9(5-7)14-11(12)13-8/h3-5H,6H2,1-2H3,(H3,12,13,14)
InChIKeyLFEXYFCYCUBAON-UHFFFAOYSA-N
XLogP0.78
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 22745185
2-[2-(2-amino-3H-benzimidazol-5-yl)acetyl]-3,4,5-trichloro-6-methylbenzoic acid
CID 159941579
N',N'-dimethyl-2-(2-methyl-3H-benzimidazol-5-yl)acetohydrazide
CID 116847491
2-(3,4-dichlorophenyl)-N,N-dimethylacetamide
CID 14740023
3-amino-N-methyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide
CID 115153098
N-ethyl-2-(2-ethyl-3H-benzimidazol-5-yl)-N-phenylacetamide
CID 110772768
2-chloro-N-methyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]acetamide
CID 115162214
2-(4-amino-3-methoxyphenyl)-N,N-dimethylacetamide
CID 130276414
2-[3-amino-4-(methylamino)phenyl]-N,N-dimethylacetamide
CID 129058955
N-methyl-2-(2-methyl-3H-benzimidazol-5-yl)-N-[3-[(2S)-oxolan-2-yl]propyl]acetamide
CID 125161756
6-[2-(5-methyl-1H-imidazol-4-yl)ethyl]-1H-benzimidazol-2-amine
CID 10354332
2-[(6-amino-1H-benzimidazol-2-yl)methyl-ethylamino]-N,N-dimethylacetamide
CID 43588107

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3H-benzimidazol-5-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(2-amino-3H-benzimidazol-5-yl)-N,N-dimethylacetamide (CID 90332895) is 2-(2-amino-3H-benzimidazol-5-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(2-amino-3H-benzimidazol-5-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(2-amino-3H-benzimidazol-5-yl)-N,N-dimethylacetamide is CN(C)C(=O)Cc1ccc2nc(N)[nH]c2c1.
What is the InChIKey of 2-(2-amino-3H-benzimidazol-5-yl)-N,N-dimethylacetamide?
The InChIKey is LFEXYFCYCUBAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-15(2)10(16)6-7-3-4-8-9(5-7)14-11(12)13-8/h3-5H,6H2,1-2H3,(H3,12,13,14).
What are the key properties of 2-(2-amino-3H-benzimidazol-5-yl)-N,N-dimethylacetamide?
2-(2-amino-3H-benzimidazol-5-yl)-N,N-dimethylacetamide has a molecular weight of 218.26 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3H-benzimidazol-5-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 90332895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).