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

C13H18N6O2 — CID 86566963

IUPACN,N'-bis[2-(1H-imidazol-5-yl)ethyl]propanediamide
SMILESO=C(CC(=O)NCCc1cnc[nH]1)NCCc1cnc[nH]1
InChIInChI=1S/C13H18N6O2/c20-12(16-3-1-10-6-14-8-18-10)5-13(21)17-4-2-11-7-15-9-19-11/h6-9H,1-5H2,(H,14,18)(H,15,19)(H,16,20)(H,17,21)
InChIKeyMWORBFIKQWWKQH-UHFFFAOYSA-N
MW290.33 g/mol
LogP-0.46
Rot. Bonds8

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

N,N'-bis[2-(1H-imidazol-5-yl)ethyl]propanediamide (PubChem CID 86566963) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is N,N'-bis[2-(1H-imidazol-5-yl)ethyl]propanediamide.

Molecular Properties

Compound NameN,N'-bis[2-(1H-imidazol-5-yl)ethyl]propanediamide
PubChem CID86566963
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC NameN,N'-bis[2-(1H-imidazol-5-yl)ethyl]propanediamide
SMILESO=C(CC(=O)NCCc1cnc[nH]1)NCCc1cnc[nH]1
InChIInChI=1S/C13H18N6O2/c20-12(16-3-1-10-6-14-8-18-10)5-13(21)17-4-2-11-7-15-9-19-11/h6-9H,1-5H2,(H,14,18)(H,15,19)(H,16,20)(H,17,21)
InChIKeyMWORBFIKQWWKQH-UHFFFAOYSA-N
XLogP-0.46
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 5-0.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', '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]propanediamide?
The IUPAC name of N,N'-bis[2-(1H-imidazol-5-yl)ethyl]propanediamide (CID 86566963) is N,N'-bis[2-(1H-imidazol-5-yl)ethyl]propanediamide.
What is the SMILES notation for N,N'-bis[2-(1H-imidazol-5-yl)ethyl]propanediamide?
The canonical SMILES for N,N'-bis[2-(1H-imidazol-5-yl)ethyl]propanediamide is O=C(CC(=O)NCCc1cnc[nH]1)NCCc1cnc[nH]1.
What is the InChIKey of N,N'-bis[2-(1H-imidazol-5-yl)ethyl]propanediamide?
The InChIKey is MWORBFIKQWWKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c20-12(16-3-1-10-6-14-8-18-10)5-13(21)17-4-2-11-7-15-9-19-11/h6-9H,1-5H2,(H,14,18)(H,15,19)(H,16,20)(H,17,21).
What are the key properties of N,N'-bis[2-(1H-imidazol-5-yl)ethyl]propanediamide?
N,N'-bis[2-(1H-imidazol-5-yl)ethyl]propanediamide has a molecular weight of 290.33 g/mol, XLogP of -0.46, 8 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]propanediamide is sourced from PubChem (CID 86566963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).