5-bromo-2-cyclopropyl-1H-imidazole

C6H7BrN2 — CID 117259280

IUPAC5-bromo-2-cyclopropyl-1H-imidazole
SMILESBrc1cnc(C2CC2)[nH]1
InChIInChI=1S/C6H7BrN2/c7-5-3-8-6(9-5)4-1-2-4/h3-4H,1-2H2,(H,8,9)
InChIKeyRWFHKTLGXJYMKW-UHFFFAOYSA-N
MW187.04 g/mol
LogP2.05
Rot. Bonds1

About 5-bromo-2-cyclopropyl-1H-imidazole

5-bromo-2-cyclopropyl-1H-imidazole (PubChem CID 117259280) has the molecular formula C6H7BrN2 and a molecular weight of 187.04 g/mol. Its IUPAC name is 5-bromo-2-cyclopropyl-1H-imidazole.

Molecular Properties

Compound Name5-bromo-2-cyclopropyl-1H-imidazole
PubChem CID117259280
Molecular FormulaC6H7BrN2
Molecular Weight187.04 g/mol
Exact Mass185.98
IUPAC Name5-bromo-2-cyclopropyl-1H-imidazole
SMILESBrc1cnc(C2CC2)[nH]1
InChIInChI=1S/C6H7BrN2/c7-5-3-8-6(9-5)4-1-2-4/h3-4H,1-2H2,(H,8,9)
InChIKeyRWFHKTLGXJYMKW-UHFFFAOYSA-N
XLogP2.05
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.04
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-cyclopropyl-1H-imidazole?
The IUPAC name of 5-bromo-2-cyclopropyl-1H-imidazole (CID 117259280) is 5-bromo-2-cyclopropyl-1H-imidazole.
What is the SMILES notation for 5-bromo-2-cyclopropyl-1H-imidazole?
The canonical SMILES for 5-bromo-2-cyclopropyl-1H-imidazole is Brc1cnc(C2CC2)[nH]1.
What is the InChIKey of 5-bromo-2-cyclopropyl-1H-imidazole?
The InChIKey is RWFHKTLGXJYMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2/c7-5-3-8-6(9-5)4-1-2-4/h3-4H,1-2H2,(H,8,9).
What are the key properties of 5-bromo-2-cyclopropyl-1H-imidazole?
5-bromo-2-cyclopropyl-1H-imidazole has a molecular weight of 187.04 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-cyclopropyl-1H-imidazole is sourced from PubChem (CID 117259280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).