6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-ol;3-fluorobenzonitrile

C13H12FN3O — CID 145116179

IUPAC6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-ol;3-fluorobenzonitrile
SMILESN#Cc1cccc(F)c1.Oc1ncn2c1CCC2
InChIInChI=1S/C7H4FN.C6H8N2O/c8-7-3-1-2-6(4-7)5-9;9-6-5-2-1-3-8(5)4-7-6/h1-4H;4,9H,1-3H2
InChIKeyQHZQWVJULGMGBW-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.23
Rot. Bonds

About 6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-ol;3-fluorobenzonitrile

6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-ol;3-fluorobenzonitrile (PubChem CID 145116179) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-ol;3-fluorobenzonitrile.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-ol;3-fluorobenzonitrile
PubChem CID145116179
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC Name6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-ol;3-fluorobenzonitrile
SMILESN#Cc1cccc(F)c1.Oc1ncn2c1CCC2
InChIInChI=1S/C7H4FN.C6H8N2O/c8-7-3-1-2-6(4-7)5-9;9-6-5-2-1-3-8(5)4-7-6/h1-4H;4,9H,1-3H2
InChIKeyQHZQWVJULGMGBW-UHFFFAOYSA-N
XLogP2.23
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-ol;3-fluorobenzonitrile?
The IUPAC name of 6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-ol;3-fluorobenzonitrile (CID 145116179) is 6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-ol;3-fluorobenzonitrile.
What is the SMILES notation for 6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-ol;3-fluorobenzonitrile?
The canonical SMILES for 6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-ol;3-fluorobenzonitrile is N#Cc1cccc(F)c1.Oc1ncn2c1CCC2.
What is the InChIKey of 6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-ol;3-fluorobenzonitrile?
The InChIKey is QHZQWVJULGMGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FN.C6H8N2O/c8-7-3-1-2-6(4-7)5-9;9-6-5-2-1-3-8(5)4-7-6/h1-4H;4,9H,1-3H2.
What are the key properties of 6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-ol;3-fluorobenzonitrile?
6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-ol;3-fluorobenzonitrile has a molecular weight of 245.26 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-ol;3-fluorobenzonitrile is sourced from PubChem (CID 145116179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).