4-(1'-propylsulfonylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-3-yl)benzamide

C20H26N4O3S — CID 97401254

IUPAC4-(1'-propylsulfonylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-3-yl)benzamide
SMILESCCCS(=O)(=O)N1CCC2(CC1)CCn1c(-c3ccc(C(N)=O)cc3)cnc12
InChIInChI=1S/C20H26N4O3S/c1-2-13-28(26,27)23-10-7-20(8-11-23)9-12-24-17(14-22-19(20)24)15-3-5-16(6-4-15)18(21)25/h3-6,14H,2,7-13H2,1H3,(H2,21,25)
InChIKeyOQUBLYIFNCQAPN-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.13
Rot. Bonds5

About 4-(1'-propylsulfonylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-3-yl)benzamide

4-(1'-propylsulfonylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-3-yl)benzamide (PubChem CID 97401254) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is 4-(1'-propylsulfonylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-3-yl)benzamide.

Molecular Properties

Compound Name4-(1'-propylsulfonylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-3-yl)benzamide
PubChem CID97401254
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC Name4-(1'-propylsulfonylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-3-yl)benzamide
SMILESCCCS(=O)(=O)N1CCC2(CC1)CCn1c(-c3ccc(C(N)=O)cc3)cnc12
InChIInChI=1S/C20H26N4O3S/c1-2-13-28(26,27)23-10-7-20(8-11-23)9-12-24-17(14-22-19(20)24)15-3-5-16(6-4-15)18(21)25/h3-6,14H,2,7-13H2,1H3,(H2,21,25)
InChIKeyOQUBLYIFNCQAPN-UHFFFAOYSA-N
XLogP2.13
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1'-propylsulfonylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-3-yl)benzamide?
The IUPAC name of 4-(1'-propylsulfonylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-3-yl)benzamide (CID 97401254) is 4-(1'-propylsulfonylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-3-yl)benzamide.
What is the SMILES notation for 4-(1'-propylsulfonylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-3-yl)benzamide?
The canonical SMILES for 4-(1'-propylsulfonylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-3-yl)benzamide is CCCS(=O)(=O)N1CCC2(CC1)CCn1c(-c3ccc(C(N)=O)cc3)cnc12.
What is the InChIKey of 4-(1'-propylsulfonylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-3-yl)benzamide?
The InChIKey is OQUBLYIFNCQAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-2-13-28(26,27)23-10-7-20(8-11-23)9-12-24-17(14-22-19(20)24)15-3-5-16(6-4-15)18(21)25/h3-6,14H,2,7-13H2,1H3,(H2,21,25).
What are the key properties of 4-(1'-propylsulfonylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-3-yl)benzamide?
4-(1'-propylsulfonylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-3-yl)benzamide has a molecular weight of 402.52 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1'-propylsulfonylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-3-yl)benzamide is sourced from PubChem (CID 97401254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).