3-[2-[(3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]ethyl]imidazolidine-2,4-dione

C16H21N3O2 — CID 119039414

IUPAC3-[2-[(3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]ethyl]imidazolidine-2,4-dione
SMILESCc1cccc2c1C(C)CC2NCCN1C(=O)CNC1=O
InChIInChI=1S/C16H21N3O2/c1-10-4-3-5-12-13(8-11(2)15(10)12)17-6-7-19-14(20)9-18-16(19)21/h3-5,11,13,17H,6-9H2,1-2H3,(H,18,21)
InChIKeyCUYKUDLLBVBWTA-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.68
Rot. Bonds4

About 3-[2-[(3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]ethyl]imidazolidine-2,4-dione

3-[2-[(3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]ethyl]imidazolidine-2,4-dione (PubChem CID 119039414) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[2-[(3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[(3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]ethyl]imidazolidine-2,4-dione
PubChem CID119039414
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-[2-[(3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]ethyl]imidazolidine-2,4-dione
SMILESCc1cccc2c1C(C)CC2NCCN1C(=O)CNC1=O
InChIInChI=1S/C16H21N3O2/c1-10-4-3-5-12-13(8-11(2)15(10)12)17-6-7-19-14(20)9-18-16(19)21/h3-5,11,13,17H,6-9H2,1-2H3,(H,18,21)
InChIKeyCUYKUDLLBVBWTA-UHFFFAOYSA-N
XLogP1.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-[(3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]ethyl]imidazolidine-2,4-dione (CID 119039414) is 3-[2-[(3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[(3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[(3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]ethyl]imidazolidine-2,4-dione is Cc1cccc2c1C(C)CC2NCCN1C(=O)CNC1=O.
What is the InChIKey of 3-[2-[(3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]ethyl]imidazolidine-2,4-dione?
The InChIKey is CUYKUDLLBVBWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10-4-3-5-12-13(8-11(2)15(10)12)17-6-7-19-14(20)9-18-16(19)21/h3-5,11,13,17H,6-9H2,1-2H3,(H,18,21).
What are the key properties of 3-[2-[(3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]ethyl]imidazolidine-2,4-dione?
3-[2-[(3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]ethyl]imidazolidine-2,4-dione has a molecular weight of 287.36 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 119039414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).