5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-1-(4-propan-2-ylphenyl)-4-pyridin-2-ylimidazolidine-2-thione

C28H26ClN3OS — CID 133158850

IUPAC5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-1-(4-propan-2-ylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1ccc(-c2ccc(C3C(c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)o2)cc1Cl
InChIInChI=1S/C28H26ClN3OS/c1-17(2)19-9-11-21(12-10-19)32-27(26(31-28(32)34)23-6-4-5-15-30-23)25-14-13-24(33-25)20-8-7-18(3)22(29)16-20/h4-17,26-27H,1-3H3,(H,31,34)
InChIKeyWIIDVGWWAOWQBY-UHFFFAOYSA-N
MW488.06 g/mol
LogP7.60
Rot. Bonds5

About 5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-1-(4-propan-2-ylphenyl)-4-pyridin-2-ylimidazolidine-2-thione

5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-1-(4-propan-2-ylphenyl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133158850) has the molecular formula C28H26ClN3OS and a molecular weight of 488.06 g/mol. Its IUPAC name is 5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-1-(4-propan-2-ylphenyl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-1-(4-propan-2-ylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133158850
Molecular FormulaC28H26ClN3OS
Molecular Weight488.06 g/mol
Exact Mass487.15
IUPAC Name5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-1-(4-propan-2-ylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1ccc(-c2ccc(C3C(c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)o2)cc1Cl
InChIInChI=1S/C28H26ClN3OS/c1-17(2)19-9-11-21(12-10-19)32-27(26(31-28(32)34)23-6-4-5-15-30-23)25-14-13-24(33-25)20-8-7-18(3)22(29)16-20/h4-17,26-27H,1-3H3,(H,31,34)
InChIKeyWIIDVGWWAOWQBY-UHFFFAOYSA-N
XLogP7.60
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.06
LogP ≤ 57.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S,5S)-1-(3-chloro-4-methoxyphenyl)-5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100515437
N-[2-chloro-4-[(4S,5S)-5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]-2-methylpropanamide
CID 100552533
N-[4-[5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-2-methylphenyl]-2-methylpropanamide
CID 133157444
1-[3-chloro-4-(2-methoxyethoxy)phenyl]-5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133157269
5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-1-propyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133222000
5-[5-(3,4-dichlorophenyl)furan-2-yl]-1-(4-ethoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133156242
4-chloro-3-[5-[3-(4-propan-2-ylphenyl)-5-pyridin-2-yl-2-sulfanylideneimidazolidin-4-yl]furan-2-yl]benzoic acid
CID 133158849
(4S,5S)-1-(3-chloro-4-methoxyphenyl)-5-[5-(3,4-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100515122
N-[5-[(4S,5R)-5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-2-methoxyphenyl]acetamide
CID 100595710
N-[5-[(4S,5S)-5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-2-methoxyphenyl]-2-methoxyacetamide
CID 100589858
1-(4-bromophenyl)-5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133182786
5-[5-(4-bromophenyl)furan-2-yl]-1-(4-chlorophenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133182614

Frequently Asked Questions

What is the IUPAC name of 5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-1-(4-propan-2-ylphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-1-(4-propan-2-ylphenyl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133158850) is 5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-1-(4-propan-2-ylphenyl)-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-1-(4-propan-2-ylphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-1-(4-propan-2-ylphenyl)-4-pyridin-2-ylimidazolidine-2-thione is Cc1ccc(-c2ccc(C3C(c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)o2)cc1Cl.
What is the InChIKey of 5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-1-(4-propan-2-ylphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is WIIDVGWWAOWQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN3OS/c1-17(2)19-9-11-21(12-10-19)32-27(26(31-28(32)34)23-6-4-5-15-30-23)25-14-13-24(33-25)20-8-7-18(3)22(29)16-20/h4-17,26-27H,1-3H3,(H,31,34).
What are the key properties of 5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-1-(4-propan-2-ylphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-1-(4-propan-2-ylphenyl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 488.06 g/mol, XLogP of 7.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-1-(4-propan-2-ylphenyl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133158850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).