5-benzyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

C13H14N2 — CID 12764882

IUPAC5-benzyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESc1ccc(CC2CCc3nccn32)cc1
InChIInChI=1S/C13H14N2/c1-2-4-11(5-3-1)10-12-6-7-13-14-8-9-15(12)13/h1-5,8-9,12H,6-7,10H2
InChIKeyXGVFTELWPKVMFK-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.61
Rot. Bonds2

About 5-benzyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

5-benzyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 12764882) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 5-benzyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name5-benzyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID12764882
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name5-benzyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESc1ccc(CC2CCc3nccn32)cc1
InChIInChI=1S/C13H14N2/c1-2-4-11(5-3-1)10-12-6-7-13-14-8-9-15(12)13/h1-5,8-9,12H,6-7,10H2
InChIKeyXGVFTELWPKVMFK-UHFFFAOYSA-N
XLogP2.61
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of 5-benzyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 12764882) is 5-benzyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for 5-benzyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for 5-benzyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is c1ccc(CC2CCc3nccn32)cc1.
What is the InChIKey of 5-benzyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is XGVFTELWPKVMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-2-4-11(5-3-1)10-12-6-7-13-14-8-9-15(12)13/h1-5,8-9,12H,6-7,10H2.
What are the key properties of 5-benzyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
5-benzyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 198.27 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 12764882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).