5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione

C15H16ClN5O2 — CID 121326781

IUPAC5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(C2CCN(c3cc(Cl)cc4[nH]ncc34)CC2)N1
InChIInChI=1S/C15H16ClN5O2/c16-9-5-11-10(7-17-20-11)12(6-9)21-3-1-8(2-4-21)13-14(22)19-15(23)18-13/h5-8,13H,1-4H2,(H,17,20)(H2,18,19,22,23)
InChIKeyRTIBPGWETITXDO-UHFFFAOYSA-N
MW333.78 g/mol
LogP1.64
Rot. Bonds2

About 5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione

5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 121326781) has the molecular formula C15H16ClN5O2 and a molecular weight of 333.78 g/mol. Its IUPAC name is 5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID121326781
Molecular FormulaC15H16ClN5O2
Molecular Weight333.78 g/mol
Exact Mass333.10
IUPAC Name5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(C2CCN(c3cc(Cl)cc4[nH]ncc34)CC2)N1
InChIInChI=1S/C15H16ClN5O2/c16-9-5-11-10(7-17-20-11)12(6-9)21-3-1-8(2-4-21)13-14(22)19-15(23)18-13/h5-8,13H,1-4H2,(H,17,20)(H2,18,19,22,23)
InChIKeyRTIBPGWETITXDO-UHFFFAOYSA-N
XLogP1.64
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 51.64
H-Bond Donors ≤ 53
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 5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione (CID 121326781) is 5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione is O=C1NC(=O)C(C2CCN(c3cc(Cl)cc4[nH]ncc34)CC2)N1.
What is the InChIKey of 5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is RTIBPGWETITXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O2/c16-9-5-11-10(7-17-20-11)12(6-9)21-3-1-8(2-4-21)13-14(22)19-15(23)18-13/h5-8,13H,1-4H2,(H,17,20)(H2,18,19,22,23).
What are the key properties of 5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione?
5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 333.78 g/mol, XLogP of 1.64, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121326781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).