2-(azepan-1-yl)-N-(3H-benzimidazol-5-yl)-2-oxoacetamide

C15H18N4O2 — CID 108521221

IUPAC2-(azepan-1-yl)-N-(3H-benzimidazol-5-yl)-2-oxoacetamide
SMILESO=C(Nc1ccc2nc[nH]c2c1)C(=O)N1CCCCCC1
InChIInChI=1S/C15H18N4O2/c20-14(15(21)19-7-3-1-2-4-8-19)18-11-5-6-12-13(9-11)17-10-16-12/h5-6,9-10H,1-4,7-8H2,(H,16,17)(H,18,20)
InChIKeyRNXAWODRFVGSLC-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.90
Rot. Bonds1

About 2-(azepan-1-yl)-N-(3H-benzimidazol-5-yl)-2-oxoacetamide

2-(azepan-1-yl)-N-(3H-benzimidazol-5-yl)-2-oxoacetamide (PubChem CID 108521221) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(3H-benzimidazol-5-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(3H-benzimidazol-5-yl)-2-oxoacetamide
PubChem CID108521221
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name2-(azepan-1-yl)-N-(3H-benzimidazol-5-yl)-2-oxoacetamide
SMILESO=C(Nc1ccc2nc[nH]c2c1)C(=O)N1CCCCCC1
InChIInChI=1S/C15H18N4O2/c20-14(15(21)19-7-3-1-2-4-8-19)18-11-5-6-12-13(9-11)17-10-16-12/h5-6,9-10H,1-4,7-8H2,(H,16,17)(H,18,20)
InChIKeyRNXAWODRFVGSLC-UHFFFAOYSA-N
XLogP1.90
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.90
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

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N-(3H-benzimidazol-5-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide
CID 108525602
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N-(3H-benzimidazol-5-yl)-N'-(4-methylpiperazin-1-yl)oxamide
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CID 115194411
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CID 115169734
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N-(3H-benzimidazol-5-yl)prop-2-enamide
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CID 108885789
1-(3H-benzimidazol-5-yl)-3-(cyclopentylidenemethyl)urea
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(E)-N-(3H-benzimidazol-5-yl)-3-hydroxy-2-nitrosobut-2-enamide
CID 166844884

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(3H-benzimidazol-5-yl)-2-oxoacetamide?
The IUPAC name of 2-(azepan-1-yl)-N-(3H-benzimidazol-5-yl)-2-oxoacetamide (CID 108521221) is 2-(azepan-1-yl)-N-(3H-benzimidazol-5-yl)-2-oxoacetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-(3H-benzimidazol-5-yl)-2-oxoacetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-(3H-benzimidazol-5-yl)-2-oxoacetamide is O=C(Nc1ccc2nc[nH]c2c1)C(=O)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-N-(3H-benzimidazol-5-yl)-2-oxoacetamide?
The InChIKey is RNXAWODRFVGSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-14(15(21)19-7-3-1-2-4-8-19)18-11-5-6-12-13(9-11)17-10-16-12/h5-6,9-10H,1-4,7-8H2,(H,16,17)(H,18,20).
What are the key properties of 2-(azepan-1-yl)-N-(3H-benzimidazol-5-yl)-2-oxoacetamide?
2-(azepan-1-yl)-N-(3H-benzimidazol-5-yl)-2-oxoacetamide has a molecular weight of 286.33 g/mol, XLogP of 1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-(3H-benzimidazol-5-yl)-2-oxoacetamide is sourced from PubChem (CID 108521221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).