5-pyrrol-1-yl-1H-imidazole

C7H7N3 — CID 19106938

IUPAC5-pyrrol-1-yl-1H-imidazole
SMILESc1ccn(-c2cnc[nH]2)c1
InChIInChI=1S/C7H7N3/c1-2-4-10(3-1)7-5-8-6-9-7/h1-6H,(H,8,9)
InChIKeyYQXYERMPIGTKJS-UHFFFAOYSA-N
MW133.15 g/mol
LogP1.20
Rot. Bonds1

About 5-pyrrol-1-yl-1H-imidazole

5-pyrrol-1-yl-1H-imidazole (PubChem CID 19106938) has the molecular formula C7H7N3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 5-pyrrol-1-yl-1H-imidazole.

Molecular Properties

Compound Name5-pyrrol-1-yl-1H-imidazole
PubChem CID19106938
Molecular FormulaC7H7N3
Molecular Weight133.15 g/mol
Exact Mass133.06
IUPAC Name5-pyrrol-1-yl-1H-imidazole
SMILESc1ccn(-c2cnc[nH]2)c1
InChIInChI=1S/C7H7N3/c1-2-4-10(3-1)7-5-8-6-9-7/h1-6H,(H,8,9)
InChIKeyYQXYERMPIGTKJS-UHFFFAOYSA-N
XLogP1.20
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-pyrrol-1-yl-1H-imidazole?
The IUPAC name of 5-pyrrol-1-yl-1H-imidazole (CID 19106938) is 5-pyrrol-1-yl-1H-imidazole.
What is the SMILES notation for 5-pyrrol-1-yl-1H-imidazole?
The canonical SMILES for 5-pyrrol-1-yl-1H-imidazole is c1ccn(-c2cnc[nH]2)c1.
What is the InChIKey of 5-pyrrol-1-yl-1H-imidazole?
The InChIKey is YQXYERMPIGTKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3/c1-2-4-10(3-1)7-5-8-6-9-7/h1-6H,(H,8,9).
What are the key properties of 5-pyrrol-1-yl-1H-imidazole?
5-pyrrol-1-yl-1H-imidazole has a molecular weight of 133.15 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrol-1-yl-1H-imidazole is sourced from PubChem (CID 19106938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).