3-(3-chlorophenyl)-5-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione

C22H22ClN3O2 — CID 1004315

IUPAC3-(3-chlorophenyl)-5-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione
SMILESCc1cc(N2CCCCC2)ccc1C=C1NC(=O)N(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C22H22ClN3O2/c1-15-12-18(25-10-3-2-4-11-25)9-8-16(15)13-20-21(27)26(22(28)24-20)19-7-5-6-17(23)14-19/h5-9,12-14H,2-4,10-11H2,1H3,(H,24,28)
InChIKeyUWPBTWZZLKXTCT-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.74
Rot. Bonds3

About 3-(3-chlorophenyl)-5-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione

3-(3-chlorophenyl)-5-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 1004315) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID1004315
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name3-(3-chlorophenyl)-5-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione
SMILESCc1cc(N2CCCCC2)ccc1C=C1NC(=O)N(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C22H22ClN3O2/c1-15-12-18(25-10-3-2-4-11-25)9-8-16(15)13-20-21(27)26(22(28)24-20)19-7-5-6-17(23)14-19/h5-9,12-14H,2-4,10-11H2,1H3,(H,24,28)
InChIKeyUWPBTWZZLKXTCT-UHFFFAOYSA-N
XLogP4.74
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-3-benzyl-5-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione
CID 126258499
3-(3-chlorophenyl)-5-[(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione
CID 1004687
(5Z)-3-(3-chlorophenyl)-5-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]imidazolidine-2,4-dione
CID 46500101
(5E)-5-[(2-bromophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 126100863
(5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 126100759
(5E)-3-phenyl-5-[(4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione
CID 2177673
3-ethyl-5-[(2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 968883
(5E)-3-(3-chlorophenyl)-5-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylidene]imidazolidine-2,4-dione
CID 889426
3-(3-chlorophenyl)-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione
CID 3374568
1-(3-chlorophenyl)azonane
CID 145391535
(5E)-3-(3-chlorophenyl)-5-[[2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrol-3-yl]methylidene]imidazolidine-2,4-dione
CID 126077653
(5E)-5-[(2-fluoro-4-piperidin-1-ylphenyl)methylidene]-3-methylimidazolidine-2,4-dione
CID 126200336

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of 3-(3-chlorophenyl)-5-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione (CID 1004315) is 3-(3-chlorophenyl)-5-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for 3-(3-chlorophenyl)-5-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for 3-(3-chlorophenyl)-5-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione is Cc1cc(N2CCCCC2)ccc1C=C1NC(=O)N(c2cccc(Cl)c2)C1=O.
What is the InChIKey of 3-(3-chlorophenyl)-5-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is UWPBTWZZLKXTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-15-12-18(25-10-3-2-4-11-25)9-8-16(15)13-20-21(27)26(22(28)24-20)19-7-5-6-17(23)14-19/h5-9,12-14H,2-4,10-11H2,1H3,(H,24,28).
What are the key properties of 3-(3-chlorophenyl)-5-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione?
3-(3-chlorophenyl)-5-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 395.89 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 1004315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).