N'-[2-(3H-benzimidazol-5-yl)ethyl]-N'-methyloxamide

C12H14N4O2 — CID 115192241

IUPACN'-[2-(3H-benzimidazol-5-yl)ethyl]-N'-methyloxamide
SMILESCN(CCc1ccc2nc[nH]c2c1)C(=O)C(N)=O
InChIInChI=1S/C12H14N4O2/c1-16(12(18)11(13)17)5-4-8-2-3-9-10(6-8)15-7-14-9/h2-3,6-7H,4-5H2,1H3,(H2,13,17)(H,14,15)
InChIKeyZVYBXQWBWQIUAZ-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.05
Rot. Bonds3

About N'-[2-(3H-benzimidazol-5-yl)ethyl]-N'-methyloxamide

N'-[2-(3H-benzimidazol-5-yl)ethyl]-N'-methyloxamide (PubChem CID 115192241) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N'-[2-(3H-benzimidazol-5-yl)ethyl]-N'-methyloxamide.

Molecular Properties

Compound NameN'-[2-(3H-benzimidazol-5-yl)ethyl]-N'-methyloxamide
PubChem CID115192241
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN'-[2-(3H-benzimidazol-5-yl)ethyl]-N'-methyloxamide
SMILESCN(CCc1ccc2nc[nH]c2c1)C(=O)C(N)=O
InChIInChI=1S/C12H14N4O2/c1-16(12(18)11(13)17)5-4-8-2-3-9-10(6-8)15-7-14-9/h2-3,6-7H,4-5H2,1H3,(H2,13,17)(H,14,15)
InChIKeyZVYBXQWBWQIUAZ-UHFFFAOYSA-N
XLogP0.05
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[2-(3H-benzimidazol-5-yl)ethyl]-N-methylbutanamide
CID 115155498
N-[2-(3H-benzimidazol-5-yl)ethyl]-2-cyano-N-methylacetamide
CID 115173373
4-(3H-benzimidazol-5-yl)butan-2-one
CID 82405049
3-(3H-benzimidazol-5-yl)propanoic acid;hydrochloride
CID 132889297
2-[2-(3H-benzimidazol-5-yl)ethyl-methylamino]ethanethiol
CID 115224401
3-[3H-benzimidazol-5-ylmethyl(methyl)amino]propanoic acid
CID 115218303
3-N-[2-(3H-benzimidazol-5-yl)ethyl]-3-N-methylpropane-1,2,3-triamine
CID 115120132
2-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-N-methylbenzene-1,2-diamine
CID 115124633
4-(3H-benzimidazol-5-yl)-N',N'-dimethylbutanehydrazide
CID 116847733
1-[[2-(3H-benzimidazol-5-yl)ethyl-methylamino]methyl]cyclopropan-1-amine
CID 115257071
methyl 3-[3H-benzimidazol-5-ylmethyl(methyl)amino]propanoate
CID 115232458
N'-[2-(3H-benzimidazol-5-yl)ethyl]-N',2-dimethylbutane-1,4-diamine
CID 115203481

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3H-benzimidazol-5-yl)ethyl]-N'-methyloxamide?
The IUPAC name of N'-[2-(3H-benzimidazol-5-yl)ethyl]-N'-methyloxamide (CID 115192241) is N'-[2-(3H-benzimidazol-5-yl)ethyl]-N'-methyloxamide.
What is the SMILES notation for N'-[2-(3H-benzimidazol-5-yl)ethyl]-N'-methyloxamide?
The canonical SMILES for N'-[2-(3H-benzimidazol-5-yl)ethyl]-N'-methyloxamide is CN(CCc1ccc2nc[nH]c2c1)C(=O)C(N)=O.
What is the InChIKey of N'-[2-(3H-benzimidazol-5-yl)ethyl]-N'-methyloxamide?
The InChIKey is ZVYBXQWBWQIUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-16(12(18)11(13)17)5-4-8-2-3-9-10(6-8)15-7-14-9/h2-3,6-7H,4-5H2,1H3,(H2,13,17)(H,14,15).
What are the key properties of N'-[2-(3H-benzimidazol-5-yl)ethyl]-N'-methyloxamide?
N'-[2-(3H-benzimidazol-5-yl)ethyl]-N'-methyloxamide has a molecular weight of 246.27 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3H-benzimidazol-5-yl)ethyl]-N'-methyloxamide is sourced from PubChem (CID 115192241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).