3-bromo-2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

C12H11BrN2 — CID 4079297

IUPAC3-bromo-2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESBrc1c(-c2ccccc2)nc2n1CCC2
InChIInChI=1S/C12H11BrN2/c13-12-11(9-5-2-1-3-6-9)14-10-7-4-8-15(10)12/h1-3,5-6H,4,7-8H2
InChIKeyIPLVIMVYNMPZQJ-UHFFFAOYSA-N
MW263.14 g/mol
LogP3.26
Rot. Bonds1

About 3-bromo-2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

3-bromo-2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 4079297) has the molecular formula C12H11BrN2 and a molecular weight of 263.14 g/mol. Its IUPAC name is 3-bromo-2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name3-bromo-2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID4079297
Molecular FormulaC12H11BrN2
Molecular Weight263.14 g/mol
Exact Mass262.01
IUPAC Name3-bromo-2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESBrc1c(-c2ccccc2)nc2n1CCC2
InChIInChI=1S/C12H11BrN2/c13-12-11(9-5-2-1-3-6-9)14-10-7-4-8-15(10)12/h1-3,5-6H,4,7-8H2
InChIKeyIPLVIMVYNMPZQJ-UHFFFAOYSA-N
XLogP3.26
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.14
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of 3-bromo-2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 4079297) is 3-bromo-2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for 3-bromo-2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for 3-bromo-2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is Brc1c(-c2ccccc2)nc2n1CCC2.
What is the InChIKey of 3-bromo-2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is IPLVIMVYNMPZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2/c13-12-11(9-5-2-1-3-6-9)14-10-7-4-8-15(10)12/h1-3,5-6H,4,7-8H2.
What are the key properties of 3-bromo-2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
3-bromo-2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 263.14 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 4079297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).