5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-yl-1-(pyridin-4-ylmethyl)imidazolidine-2-thione

C24H19BrN4OS — CID 133181657

IUPAC5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-yl-1-(pyridin-4-ylmethyl)imidazolidine-2-thione
SMILESS=C1NC(c2ccccn2)C(c2ccc(-c3ccc(Br)cc3)o2)N1Cc1ccncc1
InChIInChI=1S/C24H19BrN4OS/c25-18-6-4-17(5-7-18)20-8-9-21(30-20)23-22(19-3-1-2-12-27-19)28-24(31)29(23)15-16-10-13-26-14-11-16/h1-14,22-23H,15H2,(H,28,31)
InChIKeyLGVHWQRQUVZZJS-UHFFFAOYSA-N
MW491.41 g/mol
LogP5.67
Rot. Bonds5

About 5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-yl-1-(pyridin-4-ylmethyl)imidazolidine-2-thione

5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-yl-1-(pyridin-4-ylmethyl)imidazolidine-2-thione (PubChem CID 133181657) has the molecular formula C24H19BrN4OS and a molecular weight of 491.41 g/mol. Its IUPAC name is 5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-yl-1-(pyridin-4-ylmethyl)imidazolidine-2-thione.

Molecular Properties

Compound Name5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-yl-1-(pyridin-4-ylmethyl)imidazolidine-2-thione
PubChem CID133181657
Molecular FormulaC24H19BrN4OS
Molecular Weight491.41 g/mol
Exact Mass490.05
IUPAC Name5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-yl-1-(pyridin-4-ylmethyl)imidazolidine-2-thione
SMILESS=C1NC(c2ccccn2)C(c2ccc(-c3ccc(Br)cc3)o2)N1Cc1ccncc1
InChIInChI=1S/C24H19BrN4OS/c25-18-6-4-17(5-7-18)20-8-9-21(30-20)23-22(19-3-1-2-12-27-19)28-24(31)29(23)15-16-10-13-26-14-11-16/h1-14,22-23H,15H2,(H,28,31)
InChIKeyLGVHWQRQUVZZJS-UHFFFAOYSA-N
XLogP5.67
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.41
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133181144
methyl 4-[5-[5-pyridin-2-yl-3-(pyridin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]furan-2-yl]benzoate
CID 133181696
5-[5-[5-pyridin-2-yl-3-(pyridin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]furan-2-yl]benzene-1,3-dicarboxylic acid
CID 133181668
1-benzyl-5-[5-(4-ethoxyphenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133181146
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
2-[(4S,5R)-5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-phenylacetamide
CID 100662336
methyl 4-[5-(3-benzyl-5-pyridin-2-yl-2-sulfanylideneimidazolidin-4-yl)furan-2-yl]benzoate
CID 133181181
3-[(4R,5R)-5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-phenylpropanamide
CID 100670041
5-[5-(4-bromophenyl)furan-2-yl]-1-(4-chlorophenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133182614
3-[(4R,5R)-5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-(4-fluorophenyl)propanamide
CID 100692876
1-[(4-methoxyphenyl)methyl]-5-[5-(4-nitrophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133181352

Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-yl-1-(pyridin-4-ylmethyl)imidazolidine-2-thione?
The IUPAC name of 5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-yl-1-(pyridin-4-ylmethyl)imidazolidine-2-thione (CID 133181657) is 5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-yl-1-(pyridin-4-ylmethyl)imidazolidine-2-thione.
What is the SMILES notation for 5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-yl-1-(pyridin-4-ylmethyl)imidazolidine-2-thione?
The canonical SMILES for 5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-yl-1-(pyridin-4-ylmethyl)imidazolidine-2-thione is S=C1NC(c2ccccn2)C(c2ccc(-c3ccc(Br)cc3)o2)N1Cc1ccncc1.
What is the InChIKey of 5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-yl-1-(pyridin-4-ylmethyl)imidazolidine-2-thione?
The InChIKey is LGVHWQRQUVZZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrN4OS/c25-18-6-4-17(5-7-18)20-8-9-21(30-20)23-22(19-3-1-2-12-27-19)28-24(31)29(23)15-16-10-13-26-14-11-16/h1-14,22-23H,15H2,(H,28,31).
What are the key properties of 5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-yl-1-(pyridin-4-ylmethyl)imidazolidine-2-thione?
5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-yl-1-(pyridin-4-ylmethyl)imidazolidine-2-thione has a molecular weight of 491.41 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-yl-1-(pyridin-4-ylmethyl)imidazolidine-2-thione is sourced from PubChem (CID 133181657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).