N,N'-bis[2-(1H-imidazol-5-yl)ethyl]oxamide

C12H16N6O2 — CID 86566962

IUPACN,N'-bis[2-(1H-imidazol-5-yl)ethyl]oxamide
SMILESO=C(NCCc1cnc[nH]1)C(=O)NCCc1cnc[nH]1
InChIInChI=1S/C12H16N6O2/c19-11(15-3-1-9-5-13-7-17-9)12(20)16-4-2-10-6-14-8-18-10/h5-8H,1-4H2,(H,13,17)(H,14,18)(H,15,19)(H,16,20)
InChIKeySRJWMAXOCIEGRK-UHFFFAOYSA-N
MW276.30 g/mol
LogP-0.85
Rot. Bonds6

About N,N'-bis[2-(1H-imidazol-5-yl)ethyl]oxamide

N,N'-bis[2-(1H-imidazol-5-yl)ethyl]oxamide (PubChem CID 86566962) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is N,N'-bis[2-(1H-imidazol-5-yl)ethyl]oxamide.

Molecular Properties

Compound NameN,N'-bis[2-(1H-imidazol-5-yl)ethyl]oxamide
PubChem CID86566962
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC NameN,N'-bis[2-(1H-imidazol-5-yl)ethyl]oxamide
SMILESO=C(NCCc1cnc[nH]1)C(=O)NCCc1cnc[nH]1
InChIInChI=1S/C12H16N6O2/c19-11(15-3-1-9-5-13-7-17-9)12(20)16-4-2-10-6-14-8-18-10/h5-8H,1-4H2,(H,13,17)(H,14,18)(H,15,19)(H,16,20)
InChIKeySRJWMAXOCIEGRK-UHFFFAOYSA-N
XLogP-0.85
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-0.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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,N'-bis[2-(1H-imidazol-5-yl)ethyl]oxamide?
The IUPAC name of N,N'-bis[2-(1H-imidazol-5-yl)ethyl]oxamide (CID 86566962) is N,N'-bis[2-(1H-imidazol-5-yl)ethyl]oxamide.
What is the SMILES notation for N,N'-bis[2-(1H-imidazol-5-yl)ethyl]oxamide?
The canonical SMILES for N,N'-bis[2-(1H-imidazol-5-yl)ethyl]oxamide is O=C(NCCc1cnc[nH]1)C(=O)NCCc1cnc[nH]1.
What is the InChIKey of N,N'-bis[2-(1H-imidazol-5-yl)ethyl]oxamide?
The InChIKey is SRJWMAXOCIEGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c19-11(15-3-1-9-5-13-7-17-9)12(20)16-4-2-10-6-14-8-18-10/h5-8H,1-4H2,(H,13,17)(H,14,18)(H,15,19)(H,16,20).
What are the key properties of N,N'-bis[2-(1H-imidazol-5-yl)ethyl]oxamide?
N,N'-bis[2-(1H-imidazol-5-yl)ethyl]oxamide has a molecular weight of 276.30 g/mol, XLogP of -0.85, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[2-(1H-imidazol-5-yl)ethyl]oxamide is sourced from PubChem (CID 86566962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).