6-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

C12H11ClN2 — CID 44574936

IUPAC6-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESClc1ccc(C2Cc3nccn3C2)cc1
InChIInChI=1S/C12H11ClN2/c13-11-3-1-9(2-4-11)10-7-12-14-5-6-15(12)8-10/h1-6,10H,7-8H2
InChIKeyNMYFTUWMFYFIEY-UHFFFAOYSA-N
MW218.69 g/mol
LogP2.88
Rot. Bonds1

About 6-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

6-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 44574936) has the molecular formula C12H11ClN2 and a molecular weight of 218.69 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name6-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID44574936
Molecular FormulaC12H11ClN2
Molecular Weight218.69 g/mol
Exact Mass218.06
IUPAC Name6-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESClc1ccc(C2Cc3nccn3C2)cc1
InChIInChI=1S/C12H11ClN2/c13-11-3-1-9(2-4-11)10-7-12-14-5-6-15(12)8-10/h1-6,10H,7-8H2
InChIKeyNMYFTUWMFYFIEY-UHFFFAOYSA-N
XLogP2.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.69
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of 6-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 44574936) is 6-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for 6-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for 6-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is Clc1ccc(C2Cc3nccn3C2)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is NMYFTUWMFYFIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2/c13-11-3-1-9(2-4-11)10-7-12-14-5-6-15(12)8-10/h1-6,10H,7-8H2.
What are the key properties of 6-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
6-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 218.69 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 44574936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).