acetonitrile;fluorobenzene;5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole

C15H18FN3 — CID 145129274

IUPACacetonitrile;fluorobenzene;5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole
SMILESCC#N.CC1CCc2cncn21.Fc1ccccc1
InChIInChI=1S/C7H10N2.C6H5F.C2H3N/c1-6-2-3-7-4-8-5-9(6)7;7-6-4-2-1-3-5-6;1-2-3/h4-6H,2-3H2,1H3;1-5H;1H3
InChIKeyPUWWGPSQAZDFJG-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.75
Rot. Bonds

About acetonitrile;fluorobenzene;5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole

acetonitrile;fluorobenzene;5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole (PubChem CID 145129274) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is acetonitrile;fluorobenzene;5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole.

Molecular Properties

Compound Nameacetonitrile;fluorobenzene;5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole
PubChem CID145129274
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Nameacetonitrile;fluorobenzene;5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole
SMILESCC#N.CC1CCc2cncn21.Fc1ccccc1
InChIInChI=1S/C7H10N2.C6H5F.C2H3N/c1-6-2-3-7-4-8-5-9(6)7;7-6-4-2-1-3-5-6;1-2-3/h4-6H,2-3H2,1H3;1-5H;1H3
InChIKeyPUWWGPSQAZDFJG-UHFFFAOYSA-N
XLogP3.75
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Osilodrostat
CID 44139752
Imidazole, 5-methyl-1-phenyl-2-(pyrrolidinyl)-
CID 3044985
4-(6,7-Dihydro-5h-pyrrolo[1,2-c]imidazol-5-yl)-3-fluorobenzonitrile
CID 58827053
1-(4-fluorophenyl)-N-[(1-isobutyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-amine
CID 50951715
1-(4-Fluorophenyl)-4-methylimidazole
CID 16005171
1-(3,5-Difluorophenyl)-4-methylimidazole
CID 16005205
4-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl)-2-fluorobenzonitrile
CID 16118143
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl)-5-fluorobenzonitrile
CID 16118144
7-(3,4-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole
CID 16122956
1-(4-Fluorophenyl)-5-methyl-1H-imidazole
CID 16754907
1-(4-Fluorophenyl)-4-propan-2-ylimidazole
CID 18340594
5-[(3-Fluorophenyl)methyl]-1-methylimidazole
CID 18709462

Frequently Asked Questions

What is the IUPAC name of acetonitrile;fluorobenzene;5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole?
The IUPAC name of acetonitrile;fluorobenzene;5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole (CID 145129274) is acetonitrile;fluorobenzene;5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole.
What is the SMILES notation for acetonitrile;fluorobenzene;5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole?
The canonical SMILES for acetonitrile;fluorobenzene;5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole is CC#N.CC1CCc2cncn21.Fc1ccccc1.
What is the InChIKey of acetonitrile;fluorobenzene;5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole?
The InChIKey is PUWWGPSQAZDFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.C6H5F.C2H3N/c1-6-2-3-7-4-8-5-9(6)7;7-6-4-2-1-3-5-6;1-2-3/h4-6H,2-3H2,1H3;1-5H;1H3.
What are the key properties of acetonitrile;fluorobenzene;5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole?
acetonitrile;fluorobenzene;5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole has a molecular weight of 259.33 g/mol, XLogP of 3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;fluorobenzene;5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole is sourced from PubChem (CID 145129274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).