(5S)-3-[(5-chloro-2-pyridinyl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione

C15H13ClN4O2 — CID 99637339

IUPAC(5S)-3-[(5-chloro-2-pyridinyl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
SMILESC[C@@]1(c2ccccn2)NC(=O)N(Cc2ccc(Cl)cn2)C1=O
InChIInChI=1S/C15H13ClN4O2/c1-15(12-4-2-3-7-17-12)13(21)20(14(22)19-15)9-11-6-5-10(16)8-18-11/h2-8H,9H2,1H3,(H,19,22)/t15-/m0/s1
InChIKeyQXZKRHKQEIKSMM-HNNXBMFYSA-N
MW316.75 g/mol
LogP2.10
Rot. Bonds3

About (5S)-3-[(5-chloro-2-pyridinyl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione

(5S)-3-[(5-chloro-2-pyridinyl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione (PubChem CID 99637339) has the molecular formula C15H13ClN4O2 and a molecular weight of 316.75 g/mol. Its IUPAC name is (5S)-3-[(5-chloro-2-pyridinyl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(5-chloro-2-pyridinyl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
PubChem CID99637339
Molecular FormulaC15H13ClN4O2
Molecular Weight316.75 g/mol
Exact Mass316.07
IUPAC Name(5S)-3-[(5-chloro-2-pyridinyl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
SMILESC[C@@]1(c2ccccn2)NC(=O)N(Cc2ccc(Cl)cn2)C1=O
InChIInChI=1S/C15H13ClN4O2/c1-15(12-4-2-3-7-17-12)13(21)20(14(22)19-15)9-11-6-5-10(16)8-18-11/h2-8H,9H2,1H3,(H,19,22)/t15-/m0/s1
InChIKeyQXZKRHKQEIKSMM-HNNXBMFYSA-N
XLogP2.10
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[(5-chloro-2-pyridinyl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 75524013
(5S)-5-methyl-5-pyridin-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 52884048
5-(3-chlorophenyl)-5-methyl-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
CID 86795432
(5S)-3-[(5-chloro-2-pyridinyl)methyl]-5-(2,5-dimethylfuran-3-yl)-5-methylimidazolidine-2,4-dione
CID 99637342
3'-[(5-chloro-2-pyridinyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 86815731
(5S)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 96521180
(5S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 95295538
(5R)-3-(2-bromoprop-2-enyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 95324169
3-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)propanoic acid
CID 82148086
3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 71914279
N-(2,5-dichlorophenyl)-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide
CID 56500870
(5R)-3-(3,3-dimethyl-2-oxobutyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 95298044

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(5-chloro-2-pyridinyl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(5-chloro-2-pyridinyl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione (CID 99637339) is (5S)-3-[(5-chloro-2-pyridinyl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(5-chloro-2-pyridinyl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(5-chloro-2-pyridinyl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione is C[C@@]1(c2ccccn2)NC(=O)N(Cc2ccc(Cl)cn2)C1=O.
What is the InChIKey of (5S)-3-[(5-chloro-2-pyridinyl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione?
The InChIKey is QXZKRHKQEIKSMM-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H13ClN4O2/c1-15(12-4-2-3-7-17-12)13(21)20(14(22)19-15)9-11-6-5-10(16)8-18-11/h2-8H,9H2,1H3,(H,19,22)/t15-/m0/s1.
What are the key properties of (5S)-3-[(5-chloro-2-pyridinyl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione?
(5S)-3-[(5-chloro-2-pyridinyl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione has a molecular weight of 316.75 g/mol, XLogP of 2.10, 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-methyl-5-pyridin-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 99637339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).