3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]-5-(hydroxymethyl)imidazolidine-2,4-dione

C16H13Cl2N3O4 — CID 170608576

IUPAC3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]-5-(hydroxymethyl)imidazolidine-2,4-dione
SMILESO=C1NC(CO)C(=O)N1c1ccc(OCc2c(Cl)cccc2Cl)cn1
InChIInChI=1S/C16H13Cl2N3O4/c17-11-2-1-3-12(18)10(11)8-25-9-4-5-14(19-6-9)21-15(23)13(7-22)20-16(21)24/h1-6,13,22H,7-8H2,(H,20,24)
InChIKeyCLFWQFOSFVVDRS-UHFFFAOYSA-N
MW382.20 g/mol
LogP2.38
Rot. Bonds5

About 3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]-5-(hydroxymethyl)imidazolidine-2,4-dione

3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]-5-(hydroxymethyl)imidazolidine-2,4-dione (PubChem CID 170608576) has the molecular formula C16H13Cl2N3O4 and a molecular weight of 382.20 g/mol. Its IUPAC name is 3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]-5-(hydroxymethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]-5-(hydroxymethyl)imidazolidine-2,4-dione
PubChem CID170608576
Molecular FormulaC16H13Cl2N3O4
Molecular Weight382.20 g/mol
Exact Mass381.03
IUPAC Name3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]-5-(hydroxymethyl)imidazolidine-2,4-dione
SMILESO=C1NC(CO)C(=O)N1c1ccc(OCc2c(Cl)cccc2Cl)cn1
InChIInChI=1S/C16H13Cl2N3O4/c17-11-2-1-3-12(18)10(11)8-25-9-4-5-14(19-6-9)21-15(23)13(7-22)20-16(21)24/h1-6,13,22H,7-8H2,(H,20,24)
InChIKeyCLFWQFOSFVVDRS-UHFFFAOYSA-N
XLogP2.38
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.20
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]-5-(hydroxymethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]-5-(hydroxymethyl)imidazolidine-2,4-dione (CID 170608576) is 3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]-5-(hydroxymethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]-5-(hydroxymethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]-5-(hydroxymethyl)imidazolidine-2,4-dione is O=C1NC(CO)C(=O)N1c1ccc(OCc2c(Cl)cccc2Cl)cn1.
What is the InChIKey of 3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]-5-(hydroxymethyl)imidazolidine-2,4-dione?
The InChIKey is CLFWQFOSFVVDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O4/c17-11-2-1-3-12(18)10(11)8-25-9-4-5-14(19-6-9)21-15(23)13(7-22)20-16(21)24/h1-6,13,22H,7-8H2,(H,20,24).
What are the key properties of 3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]-5-(hydroxymethyl)imidazolidine-2,4-dione?
3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]-5-(hydroxymethyl)imidazolidine-2,4-dione has a molecular weight of 382.20 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]-5-(hydroxymethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 170608576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).