5-(5-imidazolidin-2-yl-2,5-dihydro-1H-pyrrol-2-yl)-4,5-dihydro-1H-imidazole

C10H17N5 — CID 166738531

IUPAC5-(5-imidazolidin-2-yl-2,5-dihydro-1H-pyrrol-2-yl)-4,5-dihydro-1H-imidazole
SMILESC1=CC(C2NCCN2)NC1C1CN=CN1
InChIInChI=1S/C10H17N5/c1-2-8(10-12-3-4-13-10)15-7(1)9-5-11-6-14-9/h1-2,6-10,12-13,15H,3-5H2,(H,11,14)
InChIKeyMAYUEPPAGPPAEN-UHFFFAOYSA-N
MW207.28 g/mol
LogP-1.60
Rot. Bonds2

About 5-(5-imidazolidin-2-yl-2,5-dihydro-1H-pyrrol-2-yl)-4,5-dihydro-1H-imidazole

5-(5-imidazolidin-2-yl-2,5-dihydro-1H-pyrrol-2-yl)-4,5-dihydro-1H-imidazole (PubChem CID 166738531) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-(5-imidazolidin-2-yl-2,5-dihydro-1H-pyrrol-2-yl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name5-(5-imidazolidin-2-yl-2,5-dihydro-1H-pyrrol-2-yl)-4,5-dihydro-1H-imidazole
PubChem CID166738531
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Name5-(5-imidazolidin-2-yl-2,5-dihydro-1H-pyrrol-2-yl)-4,5-dihydro-1H-imidazole
SMILESC1=CC(C2NCCN2)NC1C1CN=CN1
InChIInChI=1S/C10H17N5/c1-2-8(10-12-3-4-13-10)15-7(1)9-5-11-6-14-9/h1-2,6-10,12-13,15H,3-5H2,(H,11,14)
InChIKeyMAYUEPPAGPPAEN-UHFFFAOYSA-N
XLogP-1.60
TPSA60.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 5-1.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(5-imidazolidin-2-yl-2,5-dihydro-1H-pyrrol-2-yl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 5-(5-imidazolidin-2-yl-2,5-dihydro-1H-pyrrol-2-yl)-4,5-dihydro-1H-imidazole (CID 166738531) is 5-(5-imidazolidin-2-yl-2,5-dihydro-1H-pyrrol-2-yl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 5-(5-imidazolidin-2-yl-2,5-dihydro-1H-pyrrol-2-yl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 5-(5-imidazolidin-2-yl-2,5-dihydro-1H-pyrrol-2-yl)-4,5-dihydro-1H-imidazole is C1=CC(C2NCCN2)NC1C1CN=CN1.
What is the InChIKey of 5-(5-imidazolidin-2-yl-2,5-dihydro-1H-pyrrol-2-yl)-4,5-dihydro-1H-imidazole?
The InChIKey is MAYUEPPAGPPAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c1-2-8(10-12-3-4-13-10)15-7(1)9-5-11-6-14-9/h1-2,6-10,12-13,15H,3-5H2,(H,11,14).
What are the key properties of 5-(5-imidazolidin-2-yl-2,5-dihydro-1H-pyrrol-2-yl)-4,5-dihydro-1H-imidazole?
5-(5-imidazolidin-2-yl-2,5-dihydro-1H-pyrrol-2-yl)-4,5-dihydro-1H-imidazole has a molecular weight of 207.28 g/mol, XLogP of -1.60, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-imidazolidin-2-yl-2,5-dihydro-1H-pyrrol-2-yl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 166738531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).