N-(3H-benzimidazol-5-yl)-N'-butyl-N'-methyloxamide

C14H18N4O2 — CID 108528510

IUPACN-(3H-benzimidazol-5-yl)-N'-butyl-N'-methyloxamide
SMILESCCCCN(C)C(=O)C(=O)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C14H18N4O2/c1-3-4-7-18(2)14(20)13(19)17-10-5-6-11-12(8-10)16-9-15-11/h5-6,8-9H,3-4,7H2,1-2H3,(H,15,16)(H,17,19)
InChIKeyXSQCXGHCMLMXQK-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.76
Rot. Bonds4

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

N-(3H-benzimidazol-5-yl)-N'-butyl-N'-methyloxamide (PubChem CID 108528510) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-N'-butyl-N'-methyloxamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)-N'-butyl-N'-methyloxamide
PubChem CID108528510
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-(3H-benzimidazol-5-yl)-N'-butyl-N'-methyloxamide
SMILESCCCCN(C)C(=O)C(=O)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C14H18N4O2/c1-3-4-7-18(2)14(20)13(19)17-10-5-6-11-12(8-10)16-9-15-11/h5-6,8-9H,3-4,7H2,1-2H3,(H,15,16)(H,17,19)
InChIKeyXSQCXGHCMLMXQK-UHFFFAOYSA-N
XLogP1.76
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3H-benzimidazol-5-yl)-N'-butyl-N'-methyloxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3H-benzimidazol-5-yl)-N'-(2-hydroxyethyl)-N'-methyloxamide
CID 108526708
3-(3H-benzimidazol-5-yl)-1-butyl-1-propylurea
CID 108885891
N'-butyl-N-(1H-indazol-6-yl)-N'-methyloxamide
CID 108528519
N-(3H-benzimidazol-5-yl)-N',N'-bis(2-methylpropyl)oxamide
CID 108529252
1-(3H-benzimidazol-5-yl)-3-dodecylurea
CID 58973015
N-(3H-benzimidazol-5-yl)-N'-benzyl-N'-ethyloxamide
CID 108523245
N-(3H-benzimidazol-5-yl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide
CID 108529290
N-(4-acetylphenyl)-N'-butyl-N'-methyloxamide
CID 47334598
3-(3H-benzimidazol-5-yl)-1,1-bis(2-hydroxyethyl)urea
CID 108885821
N'-butyl-N'-methyl-N-(4-sulfamoylphenyl)oxamide
CID 108508773
N-(3H-benzimidazol-5-yl)carbamoyl chloride
CID 115194411
3H-benzimidazol-5-ylcarbamothioic S-acid
CID 115169734

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-N'-butyl-N'-methyloxamide?
The IUPAC name of N-(3H-benzimidazol-5-yl)-N'-butyl-N'-methyloxamide (CID 108528510) is N-(3H-benzimidazol-5-yl)-N'-butyl-N'-methyloxamide.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)-N'-butyl-N'-methyloxamide?
The canonical SMILES for N-(3H-benzimidazol-5-yl)-N'-butyl-N'-methyloxamide is CCCCN(C)C(=O)C(=O)Nc1ccc2nc[nH]c2c1.
What is the InChIKey of N-(3H-benzimidazol-5-yl)-N'-butyl-N'-methyloxamide?
The InChIKey is XSQCXGHCMLMXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-4-7-18(2)14(20)13(19)17-10-5-6-11-12(8-10)16-9-15-11/h5-6,8-9H,3-4,7H2,1-2H3,(H,15,16)(H,17,19).
What are the key properties of N-(3H-benzimidazol-5-yl)-N'-butyl-N'-methyloxamide?
N-(3H-benzimidazol-5-yl)-N'-butyl-N'-methyloxamide has a molecular weight of 274.32 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yl)-N'-butyl-N'-methyloxamide is sourced from PubChem (CID 108528510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).