5-bromo-2-(1H-pyrrol-2-yl)-1H-imidazole

C7H6BrN3 — CID 141387569

IUPAC5-bromo-2-(1H-pyrrol-2-yl)-1H-imidazole
SMILESBrc1cnc(-c2ccc[nH]2)[nH]1
InChIInChI=1S/C7H6BrN3/c8-6-4-10-7(11-6)5-2-1-3-9-5/h1-4,9H,(H,10,11)
InChIKeyGCMUDDHQGNWTQR-UHFFFAOYSA-N
MW212.05 g/mol
LogP2.17
Rot. Bonds1

About 5-bromo-2-(1H-pyrrol-2-yl)-1H-imidazole

5-bromo-2-(1H-pyrrol-2-yl)-1H-imidazole (PubChem CID 141387569) has the molecular formula C7H6BrN3 and a molecular weight of 212.05 g/mol. Its IUPAC name is 5-bromo-2-(1H-pyrrol-2-yl)-1H-imidazole.

Molecular Properties

Compound Name5-bromo-2-(1H-pyrrol-2-yl)-1H-imidazole
PubChem CID141387569
Molecular FormulaC7H6BrN3
Molecular Weight212.05 g/mol
Exact Mass210.97
IUPAC Name5-bromo-2-(1H-pyrrol-2-yl)-1H-imidazole
SMILESBrc1cnc(-c2ccc[nH]2)[nH]1
InChIInChI=1S/C7H6BrN3/c8-6-4-10-7(11-6)5-2-1-3-9-5/h1-4,9H,(H,10,11)
InChIKeyGCMUDDHQGNWTQR-UHFFFAOYSA-N
XLogP2.17
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.05
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1H-pyrrol-2-yl)-1H-imidazole?
The IUPAC name of 5-bromo-2-(1H-pyrrol-2-yl)-1H-imidazole (CID 141387569) is 5-bromo-2-(1H-pyrrol-2-yl)-1H-imidazole.
What is the SMILES notation for 5-bromo-2-(1H-pyrrol-2-yl)-1H-imidazole?
The canonical SMILES for 5-bromo-2-(1H-pyrrol-2-yl)-1H-imidazole is Brc1cnc(-c2ccc[nH]2)[nH]1.
What is the InChIKey of 5-bromo-2-(1H-pyrrol-2-yl)-1H-imidazole?
The InChIKey is GCMUDDHQGNWTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3/c8-6-4-10-7(11-6)5-2-1-3-9-5/h1-4,9H,(H,10,11).
What are the key properties of 5-bromo-2-(1H-pyrrol-2-yl)-1H-imidazole?
5-bromo-2-(1H-pyrrol-2-yl)-1H-imidazole has a molecular weight of 212.05 g/mol, XLogP of 2.17, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1H-pyrrol-2-yl)-1H-imidazole is sourced from PubChem (CID 141387569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).