(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)methyl-cyclopropyl-[(4-methoxyphenyl)methyl]azanium

C20H26N3O4+ — CID 9281758

IUPAC(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)methyl-cyclopropyl-[(4-methoxyphenyl)methyl]azanium
SMILESCOc1ccc(C[NH+](CN2C(=O)C(=O)N(C3CCCC3)C2=O)C2CC2)cc1
InChIInChI=1S/C20H25N3O4/c1-27-17-10-6-14(7-11-17)12-21(15-8-9-15)13-22-18(24)19(25)23(20(22)26)16-4-2-3-5-16/h6-7,10-11,15-16H,2-5,8-9,12-13H2,1H3/p+1
InChIKeyNFWWTUBGPIVJKT-UHFFFAOYSA-O
MW372.45 g/mol
LogP0.93
Rot. Bonds7

About (3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)methyl-cyclopropyl-[(4-methoxyphenyl)methyl]azanium

(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)methyl-cyclopropyl-[(4-methoxyphenyl)methyl]azanium (PubChem CID 9281758) has the molecular formula C20H26N3O4+ and a molecular weight of 372.45 g/mol. Its IUPAC name is (3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)methyl-cyclopropyl-[(4-methoxyphenyl)methyl]azanium.

Molecular Properties

Compound Name(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)methyl-cyclopropyl-[(4-methoxyphenyl)methyl]azanium
PubChem CID9281758
Molecular FormulaC20H26N3O4+
Molecular Weight372.45 g/mol
Exact Mass372.19
IUPAC Name(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)methyl-cyclopropyl-[(4-methoxyphenyl)methyl]azanium
SMILESCOc1ccc(C[NH+](CN2C(=O)C(=O)N(C3CCCC3)C2=O)C2CC2)cc1
InChIInChI=1S/C20H25N3O4/c1-27-17-10-6-14(7-11-17)12-21(15-8-9-15)13-22-18(24)19(25)23(20(22)26)16-4-2-3-5-16/h6-7,10-11,15-16H,2-5,8-9,12-13H2,1H3/p+1
InChIKeyNFWWTUBGPIVJKT-UHFFFAOYSA-O
XLogP0.93
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)methyl-cyclopropyl-[(4-methoxyphenyl)methyl]azanium?
The IUPAC name of (3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)methyl-cyclopropyl-[(4-methoxyphenyl)methyl]azanium (CID 9281758) is (3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)methyl-cyclopropyl-[(4-methoxyphenyl)methyl]azanium.
What is the SMILES notation for (3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)methyl-cyclopropyl-[(4-methoxyphenyl)methyl]azanium?
The canonical SMILES for (3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)methyl-cyclopropyl-[(4-methoxyphenyl)methyl]azanium is COc1ccc(C[NH+](CN2C(=O)C(=O)N(C3CCCC3)C2=O)C2CC2)cc1.
What is the InChIKey of (3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)methyl-cyclopropyl-[(4-methoxyphenyl)methyl]azanium?
The InChIKey is NFWWTUBGPIVJKT-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H25N3O4/c1-27-17-10-6-14(7-11-17)12-21(15-8-9-15)13-22-18(24)19(25)23(20(22)26)16-4-2-3-5-16/h6-7,10-11,15-16H,2-5,8-9,12-13H2,1H3/p+1.
What are the key properties of (3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)methyl-cyclopropyl-[(4-methoxyphenyl)methyl]azanium?
(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)methyl-cyclopropyl-[(4-methoxyphenyl)methyl]azanium has a molecular weight of 372.45 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)methyl-cyclopropyl-[(4-methoxyphenyl)methyl]azanium is sourced from PubChem (CID 9281758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).