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

C15H22N6O2 — CID 86567101

IUPACN,N'-bis[2-(1H-imidazol-2-yl)ethyl]pentanediamide
SMILESO=C(CCCC(=O)NCCc1ncc[nH]1)NCCc1ncc[nH]1
InChIInChI=1S/C15H22N6O2/c22-14(20-6-4-12-16-8-9-17-12)2-1-3-15(23)21-7-5-13-18-10-11-19-13/h8-11H,1-7H2,(H,16,17)(H,18,19)(H,20,22)(H,21,23)
InChIKeyRIHNPJLBFJQNRE-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.32
Rot. Bonds10

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

N,N'-bis[2-(1H-imidazol-2-yl)ethyl]pentanediamide (PubChem CID 86567101) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N,N'-bis[2-(1H-imidazol-2-yl)ethyl]pentanediamide.

Molecular Properties

Compound NameN,N'-bis[2-(1H-imidazol-2-yl)ethyl]pentanediamide
PubChem CID86567101
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC NameN,N'-bis[2-(1H-imidazol-2-yl)ethyl]pentanediamide
SMILESO=C(CCCC(=O)NCCc1ncc[nH]1)NCCc1ncc[nH]1
InChIInChI=1S/C15H22N6O2/c22-14(20-6-4-12-16-8-9-17-12)2-1-3-15(23)21-7-5-13-18-10-11-19-13/h8-11H,1-7H2,(H,16,17)(H,18,19)(H,20,22)(H,21,23)
InChIKeyRIHNPJLBFJQNRE-UHFFFAOYSA-N
XLogP0.32
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[2-(1H-imidazol-2-yl)ethyl]pentanediamide?
The IUPAC name of N,N'-bis[2-(1H-imidazol-2-yl)ethyl]pentanediamide (CID 86567101) is N,N'-bis[2-(1H-imidazol-2-yl)ethyl]pentanediamide.
What is the SMILES notation for N,N'-bis[2-(1H-imidazol-2-yl)ethyl]pentanediamide?
The canonical SMILES for N,N'-bis[2-(1H-imidazol-2-yl)ethyl]pentanediamide is O=C(CCCC(=O)NCCc1ncc[nH]1)NCCc1ncc[nH]1.
What is the InChIKey of N,N'-bis[2-(1H-imidazol-2-yl)ethyl]pentanediamide?
The InChIKey is RIHNPJLBFJQNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c22-14(20-6-4-12-16-8-9-17-12)2-1-3-15(23)21-7-5-13-18-10-11-19-13/h8-11H,1-7H2,(H,16,17)(H,18,19)(H,20,22)(H,21,23).
What are the key properties of N,N'-bis[2-(1H-imidazol-2-yl)ethyl]pentanediamide?
N,N'-bis[2-(1H-imidazol-2-yl)ethyl]pentanediamide has a molecular weight of 318.38 g/mol, XLogP of 0.32, 10 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-2-yl)ethyl]pentanediamide is sourced from PubChem (CID 86567101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).