1-benzyl-5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione

C25H20BrN3OS — CID 133181144

IUPAC1-benzyl-5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
SMILESS=C1NC(c2ccccn2)C(c2ccc(-c3ccc(Br)cc3)o2)N1Cc1ccccc1
InChIInChI=1S/C25H20BrN3OS/c26-19-11-9-18(10-12-19)21-13-14-22(30-21)24-23(20-8-4-5-15-27-20)28-25(31)29(24)16-17-6-2-1-3-7-17/h1-15,23-24H,16H2,(H,28,31)
InChIKeyLFXTZWPDDDGWCM-UHFFFAOYSA-N
MW490.43 g/mol
LogP6.28
Rot. Bonds5

About 1-benzyl-5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione

1-benzyl-5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133181144) has the molecular formula C25H20BrN3OS and a molecular weight of 490.43 g/mol. Its IUPAC name is 1-benzyl-5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name1-benzyl-5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133181144
Molecular FormulaC25H20BrN3OS
Molecular Weight490.43 g/mol
Exact Mass489.05
IUPAC Name1-benzyl-5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
SMILESS=C1NC(c2ccccn2)C(c2ccc(-c3ccc(Br)cc3)o2)N1Cc1ccccc1
InChIInChI=1S/C25H20BrN3OS/c26-19-11-9-18(10-12-19)21-13-14-22(30-21)24-23(20-8-4-5-15-27-20)28-25(31)29(24)16-17-6-2-1-3-7-17/h1-15,23-24H,16H2,(H,28,31)
InChIKeyLFXTZWPDDDGWCM-UHFFFAOYSA-N
XLogP6.28
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.43
LogP ≤ 56.28
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

5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-yl-1-(pyridin-4-ylmethyl)imidazolidine-2-thione
CID 133181657
1-benzyl-5-[5-(4-ethoxyphenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133181146
methyl 4-[5-(3-benzyl-5-pyridin-2-yl-2-sulfanylideneimidazolidin-4-yl)furan-2-yl]benzoate
CID 133181181
2-[(4S,5R)-5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-phenylacetamide
CID 100662336
3-[(4R,5R)-5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-phenylpropanamide
CID 100670041
1-(4-bromophenyl)-5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133182786
5-[5-(4-fluorophenyl)furan-2-yl]-1-[(4-methoxyphenyl)methyl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133181315
5-[5-(4-bromophenyl)furan-2-yl]-1-(4-chlorophenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133182614
5-[5-[5-pyridin-2-yl-3-(pyridin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]furan-2-yl]benzene-1,3-dicarboxylic acid
CID 133181668
methyl 4-[5-[5-pyridin-2-yl-3-(pyridin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]furan-2-yl]benzoate
CID 133181696
1-benzyl-5-[5-(2-nitrophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133181145
3-[(4R,5R)-5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-(4-fluorophenyl)propanamide
CID 100692876

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 1-benzyl-5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione (CID 133181144) is 1-benzyl-5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 1-benzyl-5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 1-benzyl-5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione is S=C1NC(c2ccccn2)C(c2ccc(-c3ccc(Br)cc3)o2)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is LFXTZWPDDDGWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20BrN3OS/c26-19-11-9-18(10-12-19)21-13-14-22(30-21)24-23(20-8-4-5-15-27-20)28-25(31)29(24)16-17-6-2-1-3-7-17/h1-15,23-24H,16H2,(H,28,31).
What are the key properties of 1-benzyl-5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?
1-benzyl-5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 490.43 g/mol, XLogP of 6.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133181144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).