3-bromo-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

C13H13BrN2O — CID 657731

IUPAC3-bromo-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCOc1ccc(-c2nc3n(c2Br)CCC3)cc1
InChIInChI=1S/C13H13BrN2O/c1-17-10-6-4-9(5-7-10)12-13(14)16-8-2-3-11(16)15-12/h4-7H,2-3,8H2,1H3
InChIKeyUQKXSDIJXQMRLG-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.27
Rot. Bonds2

About 3-bromo-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

3-bromo-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 657731) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 3-bromo-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name3-bromo-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID657731
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name3-bromo-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCOc1ccc(-c2nc3n(c2Br)CCC3)cc1
InChIInChI=1S/C13H13BrN2O/c1-17-10-6-4-9(5-7-10)12-13(14)16-8-2-3-11(16)15-12/h4-7H,2-3,8H2,1H3
InChIKeyUQKXSDIJXQMRLG-UHFFFAOYSA-N
XLogP3.27
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of 3-bromo-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 657731) is 3-bromo-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for 3-bromo-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for 3-bromo-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is COc1ccc(-c2nc3n(c2Br)CCC3)cc1.
What is the InChIKey of 3-bromo-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is UQKXSDIJXQMRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-17-10-6-4-9(5-7-10)12-13(14)16-8-2-3-11(16)15-12/h4-7H,2-3,8H2,1H3.
What are the key properties of 3-bromo-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
3-bromo-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 293.16 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 657731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).