5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole

C9H15N3 — CID 89117490

IUPAC5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole
SMILESCC(C)(C)N1Cc2nc[nH]c2C1
InChIInChI=1S/C9H15N3/c1-9(2,3)12-4-7-8(5-12)11-6-10-7/h6H,4-5H2,1-3H3,(H,10,11)
InChIKeyBIEYPTFVFHRPHR-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.52
Rot. Bonds

About 5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole

5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole (PubChem CID 89117490) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole
PubChem CID89117490
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole
SMILESCC(C)(C)N1Cc2nc[nH]c2C1
InChIInChI=1S/C9H15N3/c1-9(2,3)12-4-7-8(5-12)11-6-10-7/h6H,4-5H2,1-3H3,(H,10,11)
InChIKeyBIEYPTFVFHRPHR-UHFFFAOYSA-N
XLogP1.52
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole?
The IUPAC name of 5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole (CID 89117490) is 5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole.
What is the SMILES notation for 5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole?
The canonical SMILES for 5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole is CC(C)(C)N1Cc2nc[nH]c2C1.
What is the InChIKey of 5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole?
The InChIKey is BIEYPTFVFHRPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-9(2,3)12-4-7-8(5-12)11-6-10-7/h6H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole?
5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole has a molecular weight of 165.24 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole is sourced from PubChem (CID 89117490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).