N-(3H-benzimidazol-5-yl)-N'-(4-methylpiperazin-1-yl)oxamide

C14H18N6O2 — CID 108529307

IUPACN-(3H-benzimidazol-5-yl)-N'-(4-methylpiperazin-1-yl)oxamide
SMILESCN1CCN(NC(=O)C(=O)Nc2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C14H18N6O2/c1-19-4-6-20(7-5-19)18-14(22)13(21)17-10-2-3-11-12(8-10)16-9-15-11/h2-3,8-9H,4-7H2,1H3,(H,15,16)(H,17,21)(H,18,22)
InChIKeyLNCAZYORGWLSAG-UHFFFAOYSA-N
MW302.34 g/mol
LogP-0.22
Rot. Bonds2

About N-(3H-benzimidazol-5-yl)-N'-(4-methylpiperazin-1-yl)oxamide

N-(3H-benzimidazol-5-yl)-N'-(4-methylpiperazin-1-yl)oxamide (PubChem CID 108529307) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-N'-(4-methylpiperazin-1-yl)oxamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)-N'-(4-methylpiperazin-1-yl)oxamide
PubChem CID108529307
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC NameN-(3H-benzimidazol-5-yl)-N'-(4-methylpiperazin-1-yl)oxamide
SMILESCN1CCN(NC(=O)C(=O)Nc2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C14H18N6O2/c1-19-4-6-20(7-5-19)18-14(22)13(21)17-10-2-3-11-12(8-10)16-9-15-11/h2-3,8-9H,4-7H2,1H3,(H,15,16)(H,17,21)(H,18,22)
InChIKeyLNCAZYORGWLSAG-UHFFFAOYSA-N
XLogP-0.22
TPSA93.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3H-benzimidazol-5-yl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 108521097
2-(azepan-1-yl)-N-(3H-benzimidazol-5-yl)-2-oxoacetamide
CID 108521221
N-(3H-benzimidazol-5-yl)carbamoyl chloride
CID 115194411
3H-benzimidazol-5-ylcarbamothioic S-acid
CID 115169734
N-(3H-benzimidazol-5-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide
CID 108525602
N'-(4-methylpiperazin-1-yl)-N-(4-sulfamoylphenyl)oxamide
CID 108508857
3H-benzimidazol-5-yl-(4-methylpiperazin-1-yl)methanone
CID 18847527
(E)-N-(3H-benzimidazol-5-yl)-3-hydroxy-2-nitrosobut-2-enamide
CID 166844884
N-(4-methoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
CID 44995872
N-(3H-benzimidazol-5-yl)-2-(ethylamino)acetamide
CID 115157714
1-amino-3-(3H-benzimidazol-5-yl)urea
CID 115192411
N-[3-(dimethylamino)phenyl]-N'-(4-methylpiperazin-1-yl)oxamide
CID 108529126

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-N'-(4-methylpiperazin-1-yl)oxamide?
The IUPAC name of N-(3H-benzimidazol-5-yl)-N'-(4-methylpiperazin-1-yl)oxamide (CID 108529307) is N-(3H-benzimidazol-5-yl)-N'-(4-methylpiperazin-1-yl)oxamide.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)-N'-(4-methylpiperazin-1-yl)oxamide?
The canonical SMILES for N-(3H-benzimidazol-5-yl)-N'-(4-methylpiperazin-1-yl)oxamide is CN1CCN(NC(=O)C(=O)Nc2ccc3nc[nH]c3c2)CC1.
What is the InChIKey of N-(3H-benzimidazol-5-yl)-N'-(4-methylpiperazin-1-yl)oxamide?
The InChIKey is LNCAZYORGWLSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-19-4-6-20(7-5-19)18-14(22)13(21)17-10-2-3-11-12(8-10)16-9-15-11/h2-3,8-9H,4-7H2,1H3,(H,15,16)(H,17,21)(H,18,22).
What are the key properties of N-(3H-benzimidazol-5-yl)-N'-(4-methylpiperazin-1-yl)oxamide?
N-(3H-benzimidazol-5-yl)-N'-(4-methylpiperazin-1-yl)oxamide has a molecular weight of 302.34 g/mol, XLogP of -0.22, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yl)-N'-(4-methylpiperazin-1-yl)oxamide is sourced from PubChem (CID 108529307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).