5-(3-chlorophenyl)-5-methyl-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione

C16H14ClN3O2 — CID 86795432

IUPAC5-(3-chlorophenyl)-5-methyl-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
SMILESCC1(c2cccc(Cl)c2)NC(=O)N(Cc2ccccn2)C1=O
InChIInChI=1S/C16H14ClN3O2/c1-16(11-5-4-6-12(17)9-11)14(21)20(15(22)19-16)10-13-7-2-3-8-18-13/h2-9H,10H2,1H3,(H,19,22)
InChIKeyNZCOKBSUUUSCDD-UHFFFAOYSA-N
MW315.76 g/mol
LogP2.70
Rot. Bonds3

About 5-(3-chlorophenyl)-5-methyl-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione

5-(3-chlorophenyl)-5-methyl-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione (PubChem CID 86795432) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-5-methyl-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(3-chlorophenyl)-5-methyl-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
PubChem CID86795432
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC Name5-(3-chlorophenyl)-5-methyl-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
SMILESCC1(c2cccc(Cl)c2)NC(=O)N(Cc2ccccn2)C1=O
InChIInChI=1S/C16H14ClN3O2/c1-16(11-5-4-6-12(17)9-11)14(21)20(15(22)19-16)10-13-7-2-3-8-18-13/h2-9H,10H2,1H3,(H,19,22)
InChIKeyNZCOKBSUUUSCDD-UHFFFAOYSA-N
XLogP2.70
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-3-[(5-chloro-2-pyridinyl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 99637339
5-(3-chlorophenyl)-5-methyl-3-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione
CID 56521213
3-[(3-chlorophenyl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 46641069
5-(3-chlorophenyl)-3-[(E)-4-methoxy-3-methylbut-2-enyl]-5-methylimidazolidine-2,4-dione
CID 167985666
N-(4-chlorophenyl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 60535988
3-[(2,6-dichlorophenyl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 3887433
3-benzyl-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione
CID 4804422
(5S)-3-benzyl-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione
CID 7178046
3-(1-benzyl-4-methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile
CID 47092850
5-(3-bromophenyl)-3-[(2,4-dichlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 3596567
4-[1-[(3-chlorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 42964355
5-(2-chlorophenyl)-3-[(3-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 3894846

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-5-methyl-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-(3-chlorophenyl)-5-methyl-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione (CID 86795432) is 5-(3-chlorophenyl)-5-methyl-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(3-chlorophenyl)-5-methyl-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(3-chlorophenyl)-5-methyl-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione is CC1(c2cccc(Cl)c2)NC(=O)N(Cc2ccccn2)C1=O.
What is the InChIKey of 5-(3-chlorophenyl)-5-methyl-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is NZCOKBSUUUSCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c1-16(11-5-4-6-12(17)9-11)14(21)20(15(22)19-16)10-13-7-2-3-8-18-13/h2-9H,10H2,1H3,(H,19,22).
What are the key properties of 5-(3-chlorophenyl)-5-methyl-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione?
5-(3-chlorophenyl)-5-methyl-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 315.76 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-5-methyl-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 86795432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).