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

C13H14Br2N2O — CID 6602577

IUPAC3-bromo-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;hydrobromide
SMILESBr.COc1ccc(-c2nc3n(c2Br)CCC3)cc1
InChIInChI=1S/C13H13BrN2O.BrH/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;1H
InChIKeyWNJBVJZSMOVTKI-UHFFFAOYSA-N
MW374.08 g/mol
LogP3.85
Rot. Bonds2

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

3-bromo-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;hydrobromide (PubChem CID 6602577) has the molecular formula C13H14Br2N2O and a molecular weight of 374.08 g/mol. Its IUPAC name is 3-bromo-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;hydrobromide.

Molecular Properties

Compound Name3-bromo-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;hydrobromide
PubChem CID6602577
Molecular FormulaC13H14Br2N2O
Molecular Weight374.08 g/mol
Exact Mass371.95
IUPAC Name3-bromo-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;hydrobromide
SMILESBr.COc1ccc(-c2nc3n(c2Br)CCC3)cc1
InChIInChI=1S/C13H13BrN2O.BrH/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;1H
InChIKeyWNJBVJZSMOVTKI-UHFFFAOYSA-N
XLogP3.85
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.08
LogP ≤ 53.85
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;hydrobromide?
The IUPAC name of 3-bromo-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;hydrobromide (CID 6602577) is 3-bromo-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;hydrobromide.
What is the SMILES notation for 3-bromo-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;hydrobromide?
The canonical SMILES for 3-bromo-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;hydrobromide is Br.COc1ccc(-c2nc3n(c2Br)CCC3)cc1.
What is the InChIKey of 3-bromo-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;hydrobromide?
The InChIKey is WNJBVJZSMOVTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O.BrH/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;1H.
What are the key properties of 3-bromo-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;hydrobromide?
3-bromo-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;hydrobromide has a molecular weight of 374.08 g/mol, XLogP of 3.85, 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;hydrobromide is sourced from PubChem (CID 6602577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).