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

C22H30N3O3+ — CID 9318230

IUPAC(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)methyl-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium
SMILESCC(C)c1ccc(C[NH+](CN2C(=O)C(=O)N(C3CCCC3)C2=O)C2CC2)cc1
InChIInChI=1S/C22H29N3O3/c1-15(2)17-9-7-16(8-10-17)13-23(18-11-12-18)14-24-20(26)21(27)25(22(24)28)19-5-3-4-6-19/h7-10,15,18-19H,3-6,11-14H2,1-2H3/p+1
InChIKeyBLJXWDQREWXBLY-UHFFFAOYSA-O
MW384.50 g/mol
LogP2.05
Rot. Bonds7

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

(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)methyl-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium (PubChem CID 9318230) has the molecular formula C22H30N3O3+ and a molecular weight of 384.50 g/mol. Its IUPAC name is (3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)methyl-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium.

Molecular Properties

Compound Name(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)methyl-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium
PubChem CID9318230
Molecular FormulaC22H30N3O3+
Molecular Weight384.50 g/mol
Exact Mass384.23
IUPAC Name(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)methyl-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium
SMILESCC(C)c1ccc(C[NH+](CN2C(=O)C(=O)N(C3CCCC3)C2=O)C2CC2)cc1
InChIInChI=1S/C22H29N3O3/c1-15(2)17-9-7-16(8-10-17)13-23(18-11-12-18)14-24-20(26)21(27)25(22(24)28)19-5-3-4-6-19/h7-10,15,18-19H,3-6,11-14H2,1-2H3/p+1
InChIKeyBLJXWDQREWXBLY-UHFFFAOYSA-O
XLogP2.05
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-propan-2-ylphenyl)methyl]azanium?
The IUPAC name of (3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)methyl-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium (CID 9318230) is (3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)methyl-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium.
What is the SMILES notation for (3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)methyl-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium?
The canonical SMILES for (3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)methyl-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium is CC(C)c1ccc(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-propan-2-ylphenyl)methyl]azanium?
The InChIKey is BLJXWDQREWXBLY-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H29N3O3/c1-15(2)17-9-7-16(8-10-17)13-23(18-11-12-18)14-24-20(26)21(27)25(22(24)28)19-5-3-4-6-19/h7-10,15,18-19H,3-6,11-14H2,1-2H3/p+1.
What are the key properties of (3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)methyl-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium?
(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)methyl-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium has a molecular weight of 384.50 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)methyl-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium is sourced from PubChem (CID 9318230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).