3-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

C19H24N4O3 — CID 17426409

IUPAC3-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESO=C1NC2(CCCCCC2)C(=O)N1CCCn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C19H24N4O3/c24-16-19(10-5-1-2-6-11-19)21-18(26)23(16)13-7-12-22-15-9-4-3-8-14(15)20-17(22)25/h3-4,8-9H,1-2,5-7,10-13H2,(H,20,25)(H,21,26)
InChIKeyRFXDGHWWOXKJRG-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.36
Rot. Bonds4

About 3-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

3-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (PubChem CID 17426409) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.

Molecular Properties

Compound Name3-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
PubChem CID17426409
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name3-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESO=C1NC2(CCCCCC2)C(=O)N1CCCn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C19H24N4O3/c24-16-19(10-5-1-2-6-11-19)21-18(26)23(16)13-7-12-22-15-9-4-3-8-14(15)20-17(22)25/h3-4,8-9H,1-2,5-7,10-13H2,(H,20,25)(H,21,26)
InChIKeyRFXDGHWWOXKJRG-UHFFFAOYSA-N
XLogP2.36
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The IUPAC name of 3-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (CID 17426409) is 3-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.
What is the SMILES notation for 3-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The canonical SMILES for 3-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is O=C1NC2(CCCCCC2)C(=O)N1CCCn1c(=O)[nH]c2ccccc21.
What is the InChIKey of 3-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The InChIKey is RFXDGHWWOXKJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c24-16-19(10-5-1-2-6-11-19)21-18(26)23(16)13-7-12-22-15-9-4-3-8-14(15)20-17(22)25/h3-4,8-9H,1-2,5-7,10-13H2,(H,20,25)(H,21,26).
What are the key properties of 3-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
3-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione has a molecular weight of 356.43 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is sourced from PubChem (CID 17426409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).