2-(4-methoxyphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole

C12H13N3O — CID 83949419

IUPAC2-(4-methoxyphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole
SMILESCOc1ccc(-c2nc3c([nH]2)CNC3)cc1
InChIInChI=1S/C12H13N3O/c1-16-9-4-2-8(3-5-9)12-14-10-6-13-7-11(10)15-12/h2-5,13H,6-7H2,1H3,(H,14,15)
InChIKeyGVZCWDCDTFEYLO-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.69
Rot. Bonds2

About 2-(4-methoxyphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole

2-(4-methoxyphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole (PubChem CID 83949419) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole
PubChem CID83949419
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-(4-methoxyphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole
SMILESCOc1ccc(-c2nc3c([nH]2)CNC3)cc1
InChIInChI=1S/C12H13N3O/c1-16-9-4-2-8(3-5-9)12-14-10-6-13-7-11(10)15-12/h2-5,13H,6-7H2,1H3,(H,14,15)
InChIKeyGVZCWDCDTFEYLO-UHFFFAOYSA-N
XLogP1.69
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole?
The IUPAC name of 2-(4-methoxyphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole (CID 83949419) is 2-(4-methoxyphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole?
The canonical SMILES for 2-(4-methoxyphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole is COc1ccc(-c2nc3c([nH]2)CNC3)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole?
The InChIKey is GVZCWDCDTFEYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-16-9-4-2-8(3-5-9)12-14-10-6-13-7-11(10)15-12/h2-5,13H,6-7H2,1H3,(H,14,15).
What are the key properties of 2-(4-methoxyphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole?
2-(4-methoxyphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole has a molecular weight of 215.26 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole is sourced from PubChem (CID 83949419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).