[3-(3-methoxyphenyl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

C22H24N4O3 — CID 97440594

IUPAC[3-(3-methoxyphenyl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCOc1cccc(-c2cnc3n2CCC32CCN(C(=O)c3cc(C)on3)CC2)c1
InChIInChI=1S/C22H24N4O3/c1-15-12-18(24-29-15)20(27)25-9-6-22(7-10-25)8-11-26-19(14-23-21(22)26)16-4-3-5-17(13-16)28-2/h3-5,12-14H,6-11H2,1-2H3
InChIKeyJHPMQLRNFQMDOT-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.43
Rot. Bonds3

About [3-(3-methoxyphenyl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

[3-(3-methoxyphenyl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 97440594) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is [3-(3-methoxyphenyl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(3-methoxyphenyl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID97440594
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name[3-(3-methoxyphenyl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCOc1cccc(-c2cnc3n2CCC32CCN(C(=O)c3cc(C)on3)CC2)c1
InChIInChI=1S/C22H24N4O3/c1-15-12-18(24-29-15)20(27)25-9-6-22(7-10-25)8-11-26-19(14-23-21(22)26)16-4-3-5-17(13-16)28-2/h3-5,12-14H,6-11H2,1-2H3
InChIKeyJHPMQLRNFQMDOT-UHFFFAOYSA-N
XLogP3.43
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(3-methoxyphenyl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]-(5-methyl-1,2-oxazol-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxyphenyl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [3-(3-methoxyphenyl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (CID 97440594) is [3-(3-methoxyphenyl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [3-(3-methoxyphenyl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [3-(3-methoxyphenyl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is COc1cccc(-c2cnc3n2CCC32CCN(C(=O)c3cc(C)on3)CC2)c1.
What is the InChIKey of [3-(3-methoxyphenyl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is JHPMQLRNFQMDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15-12-18(24-29-15)20(27)25-9-6-22(7-10-25)8-11-26-19(14-23-21(22)26)16-4-3-5-17(13-16)28-2/h3-5,12-14H,6-11H2,1-2H3.
What are the key properties of [3-(3-methoxyphenyl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
[3-(3-methoxyphenyl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 392.46 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxyphenyl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 97440594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).