N-benzyl-3-cyclopropyl-2-[6-(1H-imidazol-2-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide

C28H29N5O3 — CID 118958307

IUPACN-benzyl-3-cyclopropyl-2-[6-(1H-imidazol-2-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide
SMILESCC(C1CC1)C(C(=O)NCc1ccccc1)N1C(=O)NC2(CCc3cc(-c4ncc[nH]4)ccc32)C1=O
InChIInChI=1S/C28H29N5O3/c1-17(19-7-8-19)23(25(34)31-16-18-5-3-2-4-6-18)33-26(35)28(32-27(33)36)12-11-20-15-21(9-10-22(20)28)24-29-13-14-30-24/h2-6,9-10,13-15,17,19,23H,7-8,11-12,16H2,1H3,(H,29,30)(H,31,34)(H,32,36)
InChIKeyGNGSFUHSDXRJBO-UHFFFAOYSA-N
MW483.57 g/mol
LogP3.50
Rot. Bonds7

About N-benzyl-3-cyclopropyl-2-[6-(1H-imidazol-2-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide

N-benzyl-3-cyclopropyl-2-[6-(1H-imidazol-2-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide (PubChem CID 118958307) has the molecular formula C28H29N5O3 and a molecular weight of 483.57 g/mol. Its IUPAC name is N-benzyl-3-cyclopropyl-2-[6-(1H-imidazol-2-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide.

Molecular Properties

Compound NameN-benzyl-3-cyclopropyl-2-[6-(1H-imidazol-2-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide
PubChem CID118958307
Molecular FormulaC28H29N5O3
Molecular Weight483.57 g/mol
Exact Mass483.23
IUPAC NameN-benzyl-3-cyclopropyl-2-[6-(1H-imidazol-2-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide
SMILESCC(C1CC1)C(C(=O)NCc1ccccc1)N1C(=O)NC2(CCc3cc(-c4ncc[nH]4)ccc32)C1=O
InChIInChI=1S/C28H29N5O3/c1-17(19-7-8-19)23(25(34)31-16-18-5-3-2-4-6-18)33-26(35)28(32-27(33)36)12-11-20-15-21(9-10-22(20)28)24-29-13-14-30-24/h2-6,9-10,13-15,17,19,23H,7-8,11-12,16H2,1H3,(H,29,30)(H,31,34)(H,32,36)
InChIKeyGNGSFUHSDXRJBO-UHFFFAOYSA-N
XLogP3.50
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-cyclopropyl-2-[6-(1H-imidazol-2-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide?
The IUPAC name of N-benzyl-3-cyclopropyl-2-[6-(1H-imidazol-2-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide (CID 118958307) is N-benzyl-3-cyclopropyl-2-[6-(1H-imidazol-2-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide.
What is the SMILES notation for N-benzyl-3-cyclopropyl-2-[6-(1H-imidazol-2-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide?
The canonical SMILES for N-benzyl-3-cyclopropyl-2-[6-(1H-imidazol-2-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide is CC(C1CC1)C(C(=O)NCc1ccccc1)N1C(=O)NC2(CCc3cc(-c4ncc[nH]4)ccc32)C1=O.
What is the InChIKey of N-benzyl-3-cyclopropyl-2-[6-(1H-imidazol-2-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide?
The InChIKey is GNGSFUHSDXRJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O3/c1-17(19-7-8-19)23(25(34)31-16-18-5-3-2-4-6-18)33-26(35)28(32-27(33)36)12-11-20-15-21(9-10-22(20)28)24-29-13-14-30-24/h2-6,9-10,13-15,17,19,23H,7-8,11-12,16H2,1H3,(H,29,30)(H,31,34)(H,32,36).
What are the key properties of N-benzyl-3-cyclopropyl-2-[6-(1H-imidazol-2-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide?
N-benzyl-3-cyclopropyl-2-[6-(1H-imidazol-2-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide has a molecular weight of 483.57 g/mol, XLogP of 3.50, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-cyclopropyl-2-[6-(1H-imidazol-2-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide is sourced from PubChem (CID 118958307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).