N-(3H-benzimidazol-5-yl)-N'-benzyl-N'-ethyloxamide

C18H18N4O2 — CID 108523245

IUPACN-(3H-benzimidazol-5-yl)-N'-benzyl-N'-ethyloxamide
SMILESCCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C18H18N4O2/c1-2-22(11-13-6-4-3-5-7-13)18(24)17(23)21-14-8-9-15-16(10-14)20-12-19-15/h3-10,12H,2,11H2,1H3,(H,19,20)(H,21,23)
InChIKeyDUVKIBMYMBOSHS-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.55
Rot. Bonds4

About N-(3H-benzimidazol-5-yl)-N'-benzyl-N'-ethyloxamide

N-(3H-benzimidazol-5-yl)-N'-benzyl-N'-ethyloxamide (PubChem CID 108523245) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-N'-benzyl-N'-ethyloxamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)-N'-benzyl-N'-ethyloxamide
PubChem CID108523245
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-(3H-benzimidazol-5-yl)-N'-benzyl-N'-ethyloxamide
SMILESCCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C18H18N4O2/c1-2-22(11-13-6-4-3-5-7-13)18(24)17(23)21-14-8-9-15-16(10-14)20-12-19-15/h3-10,12H,2,11H2,1H3,(H,19,20)(H,21,23)
InChIKeyDUVKIBMYMBOSHS-UHFFFAOYSA-N
XLogP2.55
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.55
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

N-(3H-benzimidazol-5-yl)-N',N'-bis(2-methylpropyl)oxamide
CID 108529252
N'-benzyl-N'-ethyl-N-naphthalen-2-yloxamide
CID 108523235
3-(3H-benzimidazol-5-yl)-1-ethyl-1-phenylurea
CID 108885872
N-(3H-benzimidazol-5-yl)-N'-butyl-N'-methyloxamide
CID 108528510
N-(3H-benzimidazol-5-yl)-N'-(2-hydroxyethyl)-N'-methyloxamide
CID 108526708
N'-benzyl-N-[4-(dimethylamino)phenyl]-N'-ethyloxamide
CID 108523230
N-(3H-benzimidazol-5-yl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide
CID 108529290
N'-benzyl-N-(4-chloro-3-nitrophenyl)-N'-ethyloxamide
CID 108512739
3-(3H-benzimidazol-5-yl)-1-butyl-1-propylurea
CID 108885891
[4-[[2-[benzyl(ethyl)amino]-2-oxoacetyl]amino]phenyl] thiocyanate
CID 108523229
N'-(3H-benzimidazol-5-yl)-N-(pyridin-3-ylmethyl)oxamide
CID 108506743
N-(3H-benzimidazol-5-yl)-2-(ethylamino)acetamide
CID 115157714

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-N'-benzyl-N'-ethyloxamide?
The IUPAC name of N-(3H-benzimidazol-5-yl)-N'-benzyl-N'-ethyloxamide (CID 108523245) is N-(3H-benzimidazol-5-yl)-N'-benzyl-N'-ethyloxamide.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)-N'-benzyl-N'-ethyloxamide?
The canonical SMILES for N-(3H-benzimidazol-5-yl)-N'-benzyl-N'-ethyloxamide is CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc2nc[nH]c2c1.
What is the InChIKey of N-(3H-benzimidazol-5-yl)-N'-benzyl-N'-ethyloxamide?
The InChIKey is DUVKIBMYMBOSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-2-22(11-13-6-4-3-5-7-13)18(24)17(23)21-14-8-9-15-16(10-14)20-12-19-15/h3-10,12H,2,11H2,1H3,(H,19,20)(H,21,23).
What are the key properties of N-(3H-benzimidazol-5-yl)-N'-benzyl-N'-ethyloxamide?
N-(3H-benzimidazol-5-yl)-N'-benzyl-N'-ethyloxamide has a molecular weight of 322.37 g/mol, XLogP of 2.55, 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'-benzyl-N'-ethyloxamide is sourced from PubChem (CID 108523245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).