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

C12H12N2 — CID 12764879

IUPAC6-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESc1ccc(C2Cc3nccn3C2)cc1
InChIInChI=1S/C12H12N2/c1-2-4-10(5-3-1)11-8-12-13-6-7-14(12)9-11/h1-7,11H,8-9H2
InChIKeySQVDOAJVRQASHO-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.22
Rot. Bonds1

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

6-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 12764879) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 6-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name6-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID12764879
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name6-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESc1ccc(C2Cc3nccn3C2)cc1
InChIInChI=1S/C12H12N2/c1-2-4-10(5-3-1)11-8-12-13-6-7-14(12)9-11/h1-7,11H,8-9H2
InChIKeySQVDOAJVRQASHO-UHFFFAOYSA-N
XLogP2.22
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of 6-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 12764879) is 6-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for 6-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for 6-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is c1ccc(C2Cc3nccn3C2)cc1.
What is the InChIKey of 6-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is SQVDOAJVRQASHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c1-2-4-10(5-3-1)11-8-12-13-6-7-14(12)9-11/h1-7,11H,8-9H2.
What are the key properties of 6-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
6-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 184.24 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 12764879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).