2-(1H-pyrrol-3-yl)-1H-imidazole

C7H7N3 — CID 135834163

IUPAC2-(1H-pyrrol-3-yl)-1H-imidazole
SMILESc1c[nH]c(-c2cc[nH]c2)n1
InChIInChI=1S/C7H7N3/c1-2-8-5-6(1)7-9-3-4-10-7/h1-5,8H,(H,9,10)
InChIKeyGBFJXNSWDWIZBB-UHFFFAOYSA-N
MW133.15 g/mol
LogP1.40
Rot. Bonds1

About 2-(1H-pyrrol-3-yl)-1H-imidazole

2-(1H-pyrrol-3-yl)-1H-imidazole (PubChem CID 135834163) has the molecular formula C7H7N3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 2-(1H-pyrrol-3-yl)-1H-imidazole.

Molecular Properties

Compound Name2-(1H-pyrrol-3-yl)-1H-imidazole
PubChem CID135834163
Molecular FormulaC7H7N3
Molecular Weight133.15 g/mol
Exact Mass133.06
IUPAC Name2-(1H-pyrrol-3-yl)-1H-imidazole
SMILESc1c[nH]c(-c2cc[nH]c2)n1
InChIInChI=1S/C7H7N3/c1-2-8-5-6(1)7-9-3-4-10-7/h1-5,8H,(H,9,10)
InChIKeyGBFJXNSWDWIZBB-UHFFFAOYSA-N
XLogP1.40
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrol-3-yl)-1H-imidazole?
The IUPAC name of 2-(1H-pyrrol-3-yl)-1H-imidazole (CID 135834163) is 2-(1H-pyrrol-3-yl)-1H-imidazole.
What is the SMILES notation for 2-(1H-pyrrol-3-yl)-1H-imidazole?
The canonical SMILES for 2-(1H-pyrrol-3-yl)-1H-imidazole is c1c[nH]c(-c2cc[nH]c2)n1.
What is the InChIKey of 2-(1H-pyrrol-3-yl)-1H-imidazole?
The InChIKey is GBFJXNSWDWIZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3/c1-2-8-5-6(1)7-9-3-4-10-7/h1-5,8H,(H,9,10).
What are the key properties of 2-(1H-pyrrol-3-yl)-1H-imidazole?
2-(1H-pyrrol-3-yl)-1H-imidazole has a molecular weight of 133.15 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrol-3-yl)-1H-imidazole is sourced from PubChem (CID 135834163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).