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

C7H9N3 — CID 91362037

IUPAC5-(2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole
SMILESC1=CC(c2cnc[nH]2)NC1
InChIInChI=1S/C7H9N3/c1-2-6(9-3-1)7-4-8-5-10-7/h1-2,4-6,9H,3H2,(H,8,10)
InChIKeyLVWGEZQSTRTLCJ-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.61
Rot. Bonds1

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

5-(2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole (PubChem CID 91362037) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 5-(2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole.

Molecular Properties

Compound Name5-(2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole
PubChem CID91362037
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name5-(2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole
SMILESC1=CC(c2cnc[nH]2)NC1
InChIInChI=1S/C7H9N3/c1-2-6(9-3-1)7-4-8-5-10-7/h1-2,4-6,9H,3H2,(H,8,10)
InChIKeyLVWGEZQSTRTLCJ-UHFFFAOYSA-N
XLogP0.61
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole?
The IUPAC name of 5-(2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole (CID 91362037) is 5-(2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole.
What is the SMILES notation for 5-(2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole?
The canonical SMILES for 5-(2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole is C1=CC(c2cnc[nH]2)NC1.
What is the InChIKey of 5-(2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole?
The InChIKey is LVWGEZQSTRTLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-2-6(9-3-1)7-4-8-5-10-7/h1-2,4-6,9H,3H2,(H,8,10).
What are the key properties of 5-(2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole?
5-(2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole has a molecular weight of 135.17 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole is sourced from PubChem (CID 91362037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).