N-(3H-benzimidazol-5-yl)-N'-(2-hydroxyethyl)-N'-methyloxamide

C12H14N4O3 — CID 108526708

IUPACN-(3H-benzimidazol-5-yl)-N'-(2-hydroxyethyl)-N'-methyloxamide
SMILESCN(CCO)C(=O)C(=O)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C12H14N4O3/c1-16(4-5-17)12(19)11(18)15-8-2-3-9-10(6-8)14-7-13-9/h2-3,6-7,17H,4-5H2,1H3,(H,13,14)(H,15,18)
InChIKeyUXDAMMWEBLENAA-UHFFFAOYSA-N
MW262.27 g/mol
LogP-0.05
Rot. Bonds3

About N-(3H-benzimidazol-5-yl)-N'-(2-hydroxyethyl)-N'-methyloxamide

N-(3H-benzimidazol-5-yl)-N'-(2-hydroxyethyl)-N'-methyloxamide (PubChem CID 108526708) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-N'-(2-hydroxyethyl)-N'-methyloxamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)-N'-(2-hydroxyethyl)-N'-methyloxamide
PubChem CID108526708
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC NameN-(3H-benzimidazol-5-yl)-N'-(2-hydroxyethyl)-N'-methyloxamide
SMILESCN(CCO)C(=O)C(=O)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C12H14N4O3/c1-16(4-5-17)12(19)11(18)15-8-2-3-9-10(6-8)14-7-13-9/h2-3,6-7,17H,4-5H2,1H3,(H,13,14)(H,15,18)
InChIKeyUXDAMMWEBLENAA-UHFFFAOYSA-N
XLogP-0.05
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3H-benzimidazol-5-yl)-N'-butyl-N'-methyloxamide
CID 108528510
3-(3H-benzimidazol-5-yl)-1,1-bis(2-hydroxyethyl)urea
CID 108885821
N-(3H-benzimidazol-5-yl)-N',N'-bis(2-methylpropyl)oxamide
CID 108529252
N-(3H-benzimidazol-5-yl)-N'-benzyl-N'-ethyloxamide
CID 108523245
N-(3H-benzimidazol-5-yl)-4-hydroxybutanamide
CID 115162816
N-(3H-benzimidazol-5-yl)carbamoyl chloride
CID 115194411
3H-benzimidazol-5-ylcarbamothioic S-acid
CID 115169734
N-(3H-benzimidazol-5-yl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide
CID 108529290
(E)-N-(3H-benzimidazol-5-yl)-3-hydroxy-2-nitrosobut-2-enamide
CID 166844884
3-(3H-benzimidazol-5-yl)-1-butyl-1-propylurea
CID 108885891
N-(3H-benzimidazol-5-yl)-2-(ethylamino)acetamide
CID 115157714
2-[3H-benzimidazol-5-yl(methyl)amino]ethanol
CID 115216158

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-N'-(2-hydroxyethyl)-N'-methyloxamide?
The IUPAC name of N-(3H-benzimidazol-5-yl)-N'-(2-hydroxyethyl)-N'-methyloxamide (CID 108526708) is N-(3H-benzimidazol-5-yl)-N'-(2-hydroxyethyl)-N'-methyloxamide.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)-N'-(2-hydroxyethyl)-N'-methyloxamide?
The canonical SMILES for N-(3H-benzimidazol-5-yl)-N'-(2-hydroxyethyl)-N'-methyloxamide is CN(CCO)C(=O)C(=O)Nc1ccc2nc[nH]c2c1.
What is the InChIKey of N-(3H-benzimidazol-5-yl)-N'-(2-hydroxyethyl)-N'-methyloxamide?
The InChIKey is UXDAMMWEBLENAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-16(4-5-17)12(19)11(18)15-8-2-3-9-10(6-8)14-7-13-9/h2-3,6-7,17H,4-5H2,1H3,(H,13,14)(H,15,18).
What are the key properties of N-(3H-benzimidazol-5-yl)-N'-(2-hydroxyethyl)-N'-methyloxamide?
N-(3H-benzimidazol-5-yl)-N'-(2-hydroxyethyl)-N'-methyloxamide has a molecular weight of 262.27 g/mol, XLogP of -0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yl)-N'-(2-hydroxyethyl)-N'-methyloxamide is sourced from PubChem (CID 108526708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).