2-[2-(3-aminophenyl)ethyl]-1'-methylspiro[5,7-dihydro-3H-cyclopenta[f]benzimidazole-6,5'-imidazolidine]-2',4'-dione

C21H21N5O2 — CID 89000081

IUPAC2-[2-(3-aminophenyl)ethyl]-1'-methylspiro[5,7-dihydro-3H-cyclopenta[f]benzimidazole-6,5'-imidazolidine]-2',4'-dione
SMILESCN1C(=O)NC(=O)C12Cc1cc3nc(CCc4cccc(N)c4)[nH]c3cc1C2
InChIInChI=1S/C21H21N5O2/c1-26-20(28)25-19(27)21(26)10-13-8-16-17(9-14(13)11-21)24-18(23-16)6-5-12-3-2-4-15(22)7-12/h2-4,7-9H,5-6,10-11,22H2,1H3,(H,23,24)(H,25,27,28)
InChIKeyTYWKAARYXJKPNY-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.95
Rot. Bonds3

About 2-[2-(3-aminophenyl)ethyl]-1'-methylspiro[5,7-dihydro-3H-cyclopenta[f]benzimidazole-6,5'-imidazolidine]-2',4'-dione

2-[2-(3-aminophenyl)ethyl]-1'-methylspiro[5,7-dihydro-3H-cyclopenta[f]benzimidazole-6,5'-imidazolidine]-2',4'-dione (PubChem CID 89000081) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-[2-(3-aminophenyl)ethyl]-1'-methylspiro[5,7-dihydro-3H-cyclopenta[f]benzimidazole-6,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name2-[2-(3-aminophenyl)ethyl]-1'-methylspiro[5,7-dihydro-3H-cyclopenta[f]benzimidazole-6,5'-imidazolidine]-2',4'-dione
PubChem CID89000081
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name2-[2-(3-aminophenyl)ethyl]-1'-methylspiro[5,7-dihydro-3H-cyclopenta[f]benzimidazole-6,5'-imidazolidine]-2',4'-dione
SMILESCN1C(=O)NC(=O)C12Cc1cc3nc(CCc4cccc(N)c4)[nH]c3cc1C2
InChIInChI=1S/C21H21N5O2/c1-26-20(28)25-19(27)21(26)10-13-8-16-17(9-14(13)11-21)24-18(23-16)6-5-12-3-2-4-15(22)7-12/h2-4,7-9H,5-6,10-11,22H2,1H3,(H,23,24)(H,25,27,28)
InChIKeyTYWKAARYXJKPNY-UHFFFAOYSA-N
XLogP1.95
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(3-aminophenyl)ethyl]-1'-methylspiro[5,7-dihydro-3H-cyclopenta[f]benzimidazole-6,5'-imidazolidine]-2',4'-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-aminophenyl)ethyl]-1'-methylspiro[5,7-dihydro-3H-cyclopenta[f]benzimidazole-6,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 2-[2-(3-aminophenyl)ethyl]-1'-methylspiro[5,7-dihydro-3H-cyclopenta[f]benzimidazole-6,5'-imidazolidine]-2',4'-dione (CID 89000081) is 2-[2-(3-aminophenyl)ethyl]-1'-methylspiro[5,7-dihydro-3H-cyclopenta[f]benzimidazole-6,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 2-[2-(3-aminophenyl)ethyl]-1'-methylspiro[5,7-dihydro-3H-cyclopenta[f]benzimidazole-6,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 2-[2-(3-aminophenyl)ethyl]-1'-methylspiro[5,7-dihydro-3H-cyclopenta[f]benzimidazole-6,5'-imidazolidine]-2',4'-dione is CN1C(=O)NC(=O)C12Cc1cc3nc(CCc4cccc(N)c4)[nH]c3cc1C2.
What is the InChIKey of 2-[2-(3-aminophenyl)ethyl]-1'-methylspiro[5,7-dihydro-3H-cyclopenta[f]benzimidazole-6,5'-imidazolidine]-2',4'-dione?
The InChIKey is TYWKAARYXJKPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-26-20(28)25-19(27)21(26)10-13-8-16-17(9-14(13)11-21)24-18(23-16)6-5-12-3-2-4-15(22)7-12/h2-4,7-9H,5-6,10-11,22H2,1H3,(H,23,24)(H,25,27,28).
What are the key properties of 2-[2-(3-aminophenyl)ethyl]-1'-methylspiro[5,7-dihydro-3H-cyclopenta[f]benzimidazole-6,5'-imidazolidine]-2',4'-dione?
2-[2-(3-aminophenyl)ethyl]-1'-methylspiro[5,7-dihydro-3H-cyclopenta[f]benzimidazole-6,5'-imidazolidine]-2',4'-dione has a molecular weight of 375.43 g/mol, XLogP of 1.95, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-aminophenyl)ethyl]-1'-methylspiro[5,7-dihydro-3H-cyclopenta[f]benzimidazole-6,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 89000081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).