1-pyrrol-1-ylimidazole

C7H7N3 — CID 18707113

IUPAC1-pyrrol-1-ylimidazole
SMILESc1ccn(-n2ccnc2)c1
InChIInChI=1S/C7H7N3/c1-2-5-9(4-1)10-6-3-8-7-10/h1-7H
InChIKeyDRXBWIALCFTJKL-UHFFFAOYSA-N
MW133.15 g/mol
LogP1.00
Rot. Bonds1

About 1-pyrrol-1-ylimidazole

1-pyrrol-1-ylimidazole (PubChem CID 18707113) has the molecular formula C7H7N3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 1-pyrrol-1-ylimidazole.

Molecular Properties

Compound Name1-pyrrol-1-ylimidazole
PubChem CID18707113
Molecular FormulaC7H7N3
Molecular Weight133.15 g/mol
Exact Mass133.06
IUPAC Name1-pyrrol-1-ylimidazole
SMILESc1ccn(-n2ccnc2)c1
InChIInChI=1S/C7H7N3/c1-2-5-9(4-1)10-6-3-8-7-10/h1-7H
InChIKeyDRXBWIALCFTJKL-UHFFFAOYSA-N
XLogP1.00
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrol-1-ylimidazole?
The IUPAC name of 1-pyrrol-1-ylimidazole (CID 18707113) is 1-pyrrol-1-ylimidazole.
What is the SMILES notation for 1-pyrrol-1-ylimidazole?
The canonical SMILES for 1-pyrrol-1-ylimidazole is c1ccn(-n2ccnc2)c1.
What is the InChIKey of 1-pyrrol-1-ylimidazole?
The InChIKey is DRXBWIALCFTJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3/c1-2-5-9(4-1)10-6-3-8-7-10/h1-7H.
What are the key properties of 1-pyrrol-1-ylimidazole?
1-pyrrol-1-ylimidazole has a molecular weight of 133.15 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrol-1-ylimidazole is sourced from PubChem (CID 18707113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).