2-[4-(2-naphthalen-2-yloxyethylamino)butyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione

C22H27N3O3 — CID 73355393

IUPAC2-[4-(2-naphthalen-2-yloxyethylamino)butyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESO=C1C2CCCN2C(=O)N1CCCCNCCOc1ccc2ccccc2c1
InChIInChI=1S/C22H27N3O3/c26-21-20-8-5-14-24(20)22(27)25(21)13-4-3-11-23-12-15-28-19-10-9-17-6-1-2-7-18(17)16-19/h1-2,6-7,9-10,16,20,23H,3-5,8,11-15H2
InChIKeyATXMAJPZWMYNTG-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.02
Rot. Bonds9

About 2-[4-(2-naphthalen-2-yloxyethylamino)butyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione

2-[4-(2-naphthalen-2-yloxyethylamino)butyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (PubChem CID 73355393) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[4-(2-naphthalen-2-yloxyethylamino)butyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.

Molecular Properties

Compound Name2-[4-(2-naphthalen-2-yloxyethylamino)butyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
PubChem CID73355393
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name2-[4-(2-naphthalen-2-yloxyethylamino)butyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESO=C1C2CCCN2C(=O)N1CCCCNCCOc1ccc2ccccc2c1
InChIInChI=1S/C22H27N3O3/c26-21-20-8-5-14-24(20)22(27)25(21)13-4-3-11-23-12-15-28-19-10-9-17-6-1-2-7-18(17)16-19/h1-2,6-7,9-10,16,20,23H,3-5,8,11-15H2
InChIKeyATXMAJPZWMYNTG-UHFFFAOYSA-N
XLogP3.02
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-(2-naphthalen-2-yloxyethylamino)butyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-(2-naphthalen-1-yloxyethylamino)butyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 24944943
4-[2-[4-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)butylamino]ethoxy]benzonitrile;hydrochloride
CID 72711935
2-[4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethylamino]butyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 11661007
2-(2-phenoxyethyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 71943910
2-[4-[4-(2-methoxyphenyl)butylamino]butyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;hydrochloride
CID 72711492
(7aS)-2-[(2S)-2-hydroxy-3-naphthalen-2-ylpropyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 125140214
(7aR)-2-[(2R)-2-hydroxy-3-naphthalen-2-ylpropyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 125140213
N-(3-naphthalen-2-yloxypropyl)dodecan-1-amine
CID 10451764
2-[3-(4-phenylpiperazin-1-yl)propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 10807257
1-(2-naphthalen-2-yloxyethyl)pyrrolidin-2-one
CID 82132102
4-methyl-1-(4-naphthalen-2-yloxybutyl)piperidine;oxalic acid
CID 2888640
2-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;hydrochloride
CID 52941716

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-naphthalen-2-yloxyethylamino)butyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The IUPAC name of 2-[4-(2-naphthalen-2-yloxyethylamino)butyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (CID 73355393) is 2-[4-(2-naphthalen-2-yloxyethylamino)butyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.
What is the SMILES notation for 2-[4-(2-naphthalen-2-yloxyethylamino)butyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The canonical SMILES for 2-[4-(2-naphthalen-2-yloxyethylamino)butyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is O=C1C2CCCN2C(=O)N1CCCCNCCOc1ccc2ccccc2c1.
What is the InChIKey of 2-[4-(2-naphthalen-2-yloxyethylamino)butyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The InChIKey is ATXMAJPZWMYNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c26-21-20-8-5-14-24(20)22(27)25(21)13-4-3-11-23-12-15-28-19-10-9-17-6-1-2-7-18(17)16-19/h1-2,6-7,9-10,16,20,23H,3-5,8,11-15H2.
What are the key properties of 2-[4-(2-naphthalen-2-yloxyethylamino)butyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
2-[4-(2-naphthalen-2-yloxyethylamino)butyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione has a molecular weight of 381.48 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-naphthalen-2-yloxyethylamino)butyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is sourced from PubChem (CID 73355393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).