(5Z)-5-[[2-chloro-6-(furan-2-ylmethoxy)-3-pyridinyl]methylidene]imidazolidine-2,4-dione

C14H10ClN3O4 — CID 87377925

IUPAC(5Z)-5-[[2-chloro-6-(furan-2-ylmethoxy)-3-pyridinyl]methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(OCc3ccco3)nc2Cl)N1
InChIInChI=1S/C14H10ClN3O4/c15-12-8(6-10-13(19)18-14(20)16-10)3-4-11(17-12)22-7-9-2-1-5-21-9/h1-6H,7H2,(H2,16,18,19,20)/b10-6-
InChIKeyYTYLAFASCLSHKN-POHAHGRESA-N
MW319.70 g/mol
LogP2.09
Rot. Bonds4

About (5Z)-5-[[2-chloro-6-(furan-2-ylmethoxy)-3-pyridinyl]methylidene]imidazolidine-2,4-dione

(5Z)-5-[[2-chloro-6-(furan-2-ylmethoxy)-3-pyridinyl]methylidene]imidazolidine-2,4-dione (PubChem CID 87377925) has the molecular formula C14H10ClN3O4 and a molecular weight of 319.70 g/mol. Its IUPAC name is (5Z)-5-[[2-chloro-6-(furan-2-ylmethoxy)-3-pyridinyl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[2-chloro-6-(furan-2-ylmethoxy)-3-pyridinyl]methylidene]imidazolidine-2,4-dione
PubChem CID87377925
Molecular FormulaC14H10ClN3O4
Molecular Weight319.70 g/mol
Exact Mass319.04
IUPAC Name(5Z)-5-[[2-chloro-6-(furan-2-ylmethoxy)-3-pyridinyl]methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(OCc3ccco3)nc2Cl)N1
InChIInChI=1S/C14H10ClN3O4/c15-12-8(6-10-13(19)18-14(20)16-10)3-4-11(17-12)22-7-9-2-1-5-21-9/h1-6H,7H2,(H2,16,18,19,20)/b10-6-
InChIKeyYTYLAFASCLSHKN-POHAHGRESA-N
XLogP2.09
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.70
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[2-chloro-6-(furan-2-ylmethoxy)-3-pyridinyl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[2-chloro-6-(furan-2-ylmethoxy)-3-pyridinyl]methylidene]imidazolidine-2,4-dione (CID 87377925) is (5Z)-5-[[2-chloro-6-(furan-2-ylmethoxy)-3-pyridinyl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[2-chloro-6-(furan-2-ylmethoxy)-3-pyridinyl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[2-chloro-6-(furan-2-ylmethoxy)-3-pyridinyl]methylidene]imidazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2ccc(OCc3ccco3)nc2Cl)N1.
What is the InChIKey of (5Z)-5-[[2-chloro-6-(furan-2-ylmethoxy)-3-pyridinyl]methylidene]imidazolidine-2,4-dione?
The InChIKey is YTYLAFASCLSHKN-POHAHGRESA-N. The full InChI is InChI=1S/C14H10ClN3O4/c15-12-8(6-10-13(19)18-14(20)16-10)3-4-11(17-12)22-7-9-2-1-5-21-9/h1-6H,7H2,(H2,16,18,19,20)/b10-6-.
What are the key properties of (5Z)-5-[[2-chloro-6-(furan-2-ylmethoxy)-3-pyridinyl]methylidene]imidazolidine-2,4-dione?
(5Z)-5-[[2-chloro-6-(furan-2-ylmethoxy)-3-pyridinyl]methylidene]imidazolidine-2,4-dione has a molecular weight of 319.70 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[2-chloro-6-(furan-2-ylmethoxy)-3-pyridinyl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 87377925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).