3-(3-fluorophenyl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]

C16H18FN3 — CID 97409710

IUPAC3-(3-fluorophenyl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]
SMILESFc1cccc(-c2cnc3n2CCC32CCNCC2)c1
InChIInChI=1S/C16H18FN3/c17-13-3-1-2-12(10-13)14-11-19-15-16(6-9-20(14)15)4-7-18-8-5-16/h1-3,10-11,18H,4-9H2
InChIKeyRWYMZWIOPDXFNO-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.71
Rot. Bonds1

About 3-(3-fluorophenyl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]

3-(3-fluorophenyl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine] (PubChem CID 97409710) has the molecular formula C16H18FN3 and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-(3-fluorophenyl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine].

Molecular Properties

Compound Name3-(3-fluorophenyl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]
PubChem CID97409710
Molecular FormulaC16H18FN3
Molecular Weight271.34 g/mol
Exact Mass271.15
IUPAC Name3-(3-fluorophenyl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]
SMILESFc1cccc(-c2cnc3n2CCC32CCNCC2)c1
InChIInChI=1S/C16H18FN3/c17-13-3-1-2-12(10-13)14-11-19-15-16(6-9-20(14)15)4-7-18-8-5-16/h1-3,10-11,18H,4-9H2
InChIKeyRWYMZWIOPDXFNO-UHFFFAOYSA-N
XLogP2.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]?
The IUPAC name of 3-(3-fluorophenyl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine] (CID 97409710) is 3-(3-fluorophenyl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine].
What is the SMILES notation for 3-(3-fluorophenyl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]?
The canonical SMILES for 3-(3-fluorophenyl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine] is Fc1cccc(-c2cnc3n2CCC32CCNCC2)c1.
What is the InChIKey of 3-(3-fluorophenyl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]?
The InChIKey is RWYMZWIOPDXFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3/c17-13-3-1-2-12(10-13)14-11-19-15-16(6-9-20(14)15)4-7-18-8-5-16/h1-3,10-11,18H,4-9H2.
What are the key properties of 3-(3-fluorophenyl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]?
3-(3-fluorophenyl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine] has a molecular weight of 271.34 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine] is sourced from PubChem (CID 97409710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).