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

C14H17BrN2O — CID 16682547

IUPAC2-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;hydrobromide
SMILESBr.COc1ccc(-c2nc3n(c2C)CCC3)cc1
InChIInChI=1S/C14H16N2O.BrH/c1-10-14(15-13-4-3-9-16(10)13)11-5-7-12(17-2)8-6-11;/h5-8H,3-4,9H2,1-2H3;1H
InChIKeyGTKRQORDFWALNE-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.39
Rot. Bonds2

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

2-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;hydrobromide (PubChem CID 16682547) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;hydrobromide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;hydrobromide
PubChem CID16682547
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name2-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;hydrobromide
SMILESBr.COc1ccc(-c2nc3n(c2C)CCC3)cc1
InChIInChI=1S/C14H16N2O.BrH/c1-10-14(15-13-4-3-9-16(10)13)11-5-7-12(17-2)8-6-11;/h5-8H,3-4,9H2,1-2H3;1H
InChIKeyGTKRQORDFWALNE-UHFFFAOYSA-N
XLogP3.39
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;hydrobromide?
The IUPAC name of 2-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;hydrobromide (CID 16682547) is 2-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;hydrobromide.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;hydrobromide?
The canonical SMILES for 2-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;hydrobromide is Br.COc1ccc(-c2nc3n(c2C)CCC3)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;hydrobromide?
The InChIKey is GTKRQORDFWALNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O.BrH/c1-10-14(15-13-4-3-9-16(10)13)11-5-7-12(17-2)8-6-11;/h5-8H,3-4,9H2,1-2H3;1H.
What are the key properties of 2-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;hydrobromide?
2-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;hydrobromide has a molecular weight of 309.21 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;hydrobromide is sourced from PubChem (CID 16682547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).