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

C12H12N2 — CID 765511

IUPAC2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESc1ccc(-c2cn3c(n2)CCC3)cc1
InChIInChI=1S/C12H12N2/c1-2-5-10(6-3-1)11-9-14-8-4-7-12(14)13-11/h1-3,5-6,9H,4,7-8H2
InChIKeyPPYLPCSLYXBQRM-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.50
Rot. Bonds1

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

2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 765511) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID765511
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESc1ccc(-c2cn3c(n2)CCC3)cc1
InChIInChI=1S/C12H12N2/c1-2-5-10(6-3-1)11-9-14-8-4-7-12(14)13-11/h1-3,5-6,9H,4,7-8H2
InChIKeyPPYLPCSLYXBQRM-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of 2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 765511) is 2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for 2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for 2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is c1ccc(-c2cn3c(n2)CCC3)cc1.
What is the InChIKey of 2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is PPYLPCSLYXBQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c1-2-5-10(6-3-1)11-9-14-8-4-7-12(14)13-11/h1-3,5-6,9H,4,7-8H2.
What are the key properties of 2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 184.24 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 765511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).