N-(3H-benzimidazol-5-yl)-N',N'-bis(2-methylpropyl)oxamide

C17H24N4O2 — CID 108529252

IUPACN-(3H-benzimidazol-5-yl)-N',N'-bis(2-methylpropyl)oxamide
SMILESCC(C)CN(CC(C)C)C(=O)C(=O)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C17H24N4O2/c1-11(2)8-21(9-12(3)4)17(23)16(22)20-13-5-6-14-15(7-13)19-10-18-14/h5-7,10-12H,8-9H2,1-4H3,(H,18,19)(H,20,22)
InChIKeyQOKNXBHTGPWAHR-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.64
Rot. Bonds5

About N-(3H-benzimidazol-5-yl)-N',N'-bis(2-methylpropyl)oxamide

N-(3H-benzimidazol-5-yl)-N',N'-bis(2-methylpropyl)oxamide (PubChem CID 108529252) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-N',N'-bis(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)-N',N'-bis(2-methylpropyl)oxamide
PubChem CID108529252
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC NameN-(3H-benzimidazol-5-yl)-N',N'-bis(2-methylpropyl)oxamide
SMILESCC(C)CN(CC(C)C)C(=O)C(=O)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C17H24N4O2/c1-11(2)8-21(9-12(3)4)17(23)16(22)20-13-5-6-14-15(7-13)19-10-18-14/h5-7,10-12H,8-9H2,1-4H3,(H,18,19)(H,20,22)
InChIKeyQOKNXBHTGPWAHR-UHFFFAOYSA-N
XLogP2.64
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-N',N'-bis(2-methylpropyl)oxamide?
The IUPAC name of N-(3H-benzimidazol-5-yl)-N',N'-bis(2-methylpropyl)oxamide (CID 108529252) is N-(3H-benzimidazol-5-yl)-N',N'-bis(2-methylpropyl)oxamide.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)-N',N'-bis(2-methylpropyl)oxamide?
The canonical SMILES for N-(3H-benzimidazol-5-yl)-N',N'-bis(2-methylpropyl)oxamide is CC(C)CN(CC(C)C)C(=O)C(=O)Nc1ccc2nc[nH]c2c1.
What is the InChIKey of N-(3H-benzimidazol-5-yl)-N',N'-bis(2-methylpropyl)oxamide?
The InChIKey is QOKNXBHTGPWAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-11(2)8-21(9-12(3)4)17(23)16(22)20-13-5-6-14-15(7-13)19-10-18-14/h5-7,10-12H,8-9H2,1-4H3,(H,18,19)(H,20,22).
What are the key properties of N-(3H-benzimidazol-5-yl)-N',N'-bis(2-methylpropyl)oxamide?
N-(3H-benzimidazol-5-yl)-N',N'-bis(2-methylpropyl)oxamide has a molecular weight of 316.41 g/mol, XLogP of 2.64, 5 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',N'-bis(2-methylpropyl)oxamide is sourced from PubChem (CID 108529252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).