(5S)-3-[(5-chloro-2-pyridinyl)methyl]-5-(2,5-dimethylfuran-3-yl)-5-methylimidazolidine-2,4-dione

C16H16ClN3O3 — CID 99637342

IUPAC(5S)-3-[(5-chloro-2-pyridinyl)methyl]-5-(2,5-dimethylfuran-3-yl)-5-methylimidazolidine-2,4-dione
SMILESCc1cc([C@]2(C)NC(=O)N(Cc3ccc(Cl)cn3)C2=O)c(C)o1
InChIInChI=1S/C16H16ClN3O3/c1-9-6-13(10(2)23-9)16(3)14(21)20(15(22)19-16)8-12-5-4-11(17)7-18-12/h4-7H,8H2,1-3H3,(H,19,22)/t16-/m0/s1
InChIKeyMGFBCUNCFPFWNG-INIZCTEOSA-N
MW333.78 g/mol
LogP2.91
Rot. Bonds3

About (5S)-3-[(5-chloro-2-pyridinyl)methyl]-5-(2,5-dimethylfuran-3-yl)-5-methylimidazolidine-2,4-dione

(5S)-3-[(5-chloro-2-pyridinyl)methyl]-5-(2,5-dimethylfuran-3-yl)-5-methylimidazolidine-2,4-dione (PubChem CID 99637342) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is (5S)-3-[(5-chloro-2-pyridinyl)methyl]-5-(2,5-dimethylfuran-3-yl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(5-chloro-2-pyridinyl)methyl]-5-(2,5-dimethylfuran-3-yl)-5-methylimidazolidine-2,4-dione
PubChem CID99637342
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC Name(5S)-3-[(5-chloro-2-pyridinyl)methyl]-5-(2,5-dimethylfuran-3-yl)-5-methylimidazolidine-2,4-dione
SMILESCc1cc([C@]2(C)NC(=O)N(Cc3ccc(Cl)cn3)C2=O)c(C)o1
InChIInChI=1S/C16H16ClN3O3/c1-9-6-13(10(2)23-9)16(3)14(21)20(15(22)19-16)8-12-5-4-11(17)7-18-12/h4-7H,8H2,1-3H3,(H,19,22)/t16-/m0/s1
InChIKeyMGFBCUNCFPFWNG-INIZCTEOSA-N
XLogP2.91
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 52.91
H-Bond Donors ≤ 51
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 (5S)-3-[(5-chloro-2-pyridinyl)methyl]-5-(2,5-dimethylfuran-3-yl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(5-chloro-2-pyridinyl)methyl]-5-(2,5-dimethylfuran-3-yl)-5-methylimidazolidine-2,4-dione (CID 99637342) is (5S)-3-[(5-chloro-2-pyridinyl)methyl]-5-(2,5-dimethylfuran-3-yl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(5-chloro-2-pyridinyl)methyl]-5-(2,5-dimethylfuran-3-yl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(5-chloro-2-pyridinyl)methyl]-5-(2,5-dimethylfuran-3-yl)-5-methylimidazolidine-2,4-dione is Cc1cc([C@]2(C)NC(=O)N(Cc3ccc(Cl)cn3)C2=O)c(C)o1.
What is the InChIKey of (5S)-3-[(5-chloro-2-pyridinyl)methyl]-5-(2,5-dimethylfuran-3-yl)-5-methylimidazolidine-2,4-dione?
The InChIKey is MGFBCUNCFPFWNG-INIZCTEOSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c1-9-6-13(10(2)23-9)16(3)14(21)20(15(22)19-16)8-12-5-4-11(17)7-18-12/h4-7H,8H2,1-3H3,(H,19,22)/t16-/m0/s1.
What are the key properties of (5S)-3-[(5-chloro-2-pyridinyl)methyl]-5-(2,5-dimethylfuran-3-yl)-5-methylimidazolidine-2,4-dione?
(5S)-3-[(5-chloro-2-pyridinyl)methyl]-5-(2,5-dimethylfuran-3-yl)-5-methylimidazolidine-2,4-dione has a molecular weight of 333.78 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(5-chloro-2-pyridinyl)methyl]-5-(2,5-dimethylfuran-3-yl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 99637342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).